ChemWiki - User contributions [en]

It:wilkinson

2006-12-07T19:12:02Z

Nkwt05: /* Fluorous Version of the Wilkinson Catalyst */

==Wilkinson's Catalyst==

Wilkinson's catalyst is ''Tris(triphenylphosphine) rhodium(I) chloride'' or ''chloro-tris(triphenylphosphine) rhodium(i)'' the structure of which is shown in the picture below:

[[Image:WCat.gif|thumb|A gif picture of Tris(triphenylphosphine) rhodium(I) chloride (Wilkinson's catalyst) from eMolecules.com]]

And here is a 3D picture:

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1.1431 1.9689 -3.0329 C 0 0 0 0 0
0.5202 1.6759 -4.2514 C 0 0 0 0 0
0.0553 2.6804 -5.1025 C 0 0 0 0 0
0.2381 4.0214 -4.7685 C 0 0 0 0 0
0.8850 4.3392 -3.5753 C 0 0 0 0 0
1.3168 3.3241 -2.7189 C 0 0 0 0 0
3.2256 1.6612 -1.1825 C 0 0 0 0 0
4.2895 2.0906 -1.9837 C 0 0 0 0 0
5.3078 2.8854 -1.4532 C 0 0 0 0 0
5.2415 3.3147 -0.1271 C 0 0 0 0 0
4.1415 2.9626 0.6556 C 0 0 0 0 0
3.1433 2.1422 0.1273 C 0 0 0 0 0
2.5553 -0.6693 -2.9837 C 0 0 0 0 0
1.7496 -1.4378 -3.8325 C 0 0 0 0 0
2.2861 -2.4006 -4.6897 C 0 0 0 0 0
3.6580 -2.6491 -4.6887 C 0 0 0 0 0
4.4770 -1.9229 -3.8252 C 0 0 0 0 0
3.9271 -0.9472 -2.9908 C 0 0 0 0 0
1.8066 0.6402 -1.8755 P 0 3 0 0 0
2.4895 -3.0116 -0.7006 C 0 0 0 0 0
1.4692 -3.3726 -1.5868 C 0 0 0 0 0
1.6312 -4.4478 -2.4627 C 0 0 0 0 0
2.8163 -5.1844 -2.4521 C 0 0 0 0 0
3.8158 -4.8684 -1.5308 C 0 0 0 0 0
3.6375 -3.8077 -0.6402 C 0 0 0 0 0
1.6930 -2.8219 1.9100 C 0 0 0 0 0
2.4316 -2.9296 3.0942 C 0 0 0 0 0
2.0614 -3.8291 4.0967 C 0 0 0 0 0
0.9548 -4.6600 3.9209 C 0 0 0 0 0
0.2341 -4.5961 2.7283 C 0 0 0 0 0
0.6105 -3.6936 1.7315 C 0 0 0 0 0
3.7082 -0.8006 1.1206 C 0 0 0 0 0
4.9447 -0.9029 0.4774 C 0 0 0 0 0
6.0713 -0.2464 0.9766 C 0 0 0 0 0
5.9780 0.5179 2.1402 C 0 0 0 0 0
4.7485 0.6342 2.7897 C 0 0 0 0 0
3.6218 -0.0078 2.2721 C 0 0 0 0 0
2.1677 -1.6384 0.5153 P 0 3 0 0 0
-0.8050 -0.9240 1.5944 Cl 0 0 0 0 0
-1.2673 1.3055 -0.7138 P 0 3 0 0 0
-1.9600 0.9997 -2.4063 C 0 0 0 0 0
-2.8510 1.8725 -3.0379 C 0 0 0 0 0
-3.3692 1.5738 -4.2997 C 0 0 0 0 0
-3.0491 0.3654 -4.9203 C 0 0 0 0 0
-2.2384 -0.5554 -4.2555 C 0 0 0 0 0
-1.7160 -0.2435 -2.9988 C 0 0 0 0 0
-0.7810 3.0491 -0.3062 C 0 0 0 0 0
-0.1187 3.2408 0.9128 C 0 0 0 0 0
0.2956 4.5106 1.3177 C 0 0 0 0 0
0.0355 5.6176 0.5096 C 0 0 0 0 0
-0.6485 5.4438 -0.6940 C 0 0 0 0 0
-1.0576 4.1696 -1.0938 C 0 0 0 0 0
-2.8463 1.0234 0.2603 C 0 0 0 0 0
-3.5530 -0.1726 0.0865 C 0 0 0 0 0
-4.7370 -0.4120 0.7866 C 0 0 0 0 0
-5.2370 0.5519 1.6631 C 0 0 0 0 0
-4.5463 1.7523 1.8348 C 0 0 0 0 0
-3.3593 1.9856 1.1369 C 0 0 0 0 0
0.3800 0.6415 -4.5854 H 0 0 0 0 0
-0.4429 2.4148 -6.0491 H 0 0 0 0 0
-0.1140 4.8185 -5.4421 H 0 0 0 0 0
1.0451 5.3954 -3.3036 H 0 0 0 0 0
1.8069 3.6360 -1.7841 H 0 0 0 0 0
4.3314 1.8231 -3.0516 H 0 0 0 0 0
6.1490 3.2015 -2.0911 H 0 0 0 0 0
6.0335 3.9578 0.2887 H 0 0 0 0 0
4.0574 3.3374 1.6885 H 0 0 0 0 0
2.2746 1.8922 0.7534 H 0 0 0 0 0
0.6584 -1.3179 -3.8324 H 0 0 0 0 0
1.6220 -2.9883 -5.3441 H 0 0 0 0 0
4.0844 -3.4247 -5.3442 H 0 0 0 0 0
5.5606 -2.1234 -3.7998 H 0 0 0 0 0
4.6167 -0.4073 -2.3293 H 0 0 0 0 0
0.5148 -2.8211 -1.5913 H 0 0 0 0 0
0.8200 -4.7186 -3.1578 H 0 0 0 0 0
2.9459 -6.0336 -3.1421 H 0 0 0 0 0
4.7305 -5.4811 -1.4819 H 0 0 0 0 0
4.4065 -3.6300 0.1274 H 0 0 0 0 0
3.3326 -2.3235 3.2645 H 0 0 0 0 0
2.6540 -3.8952 5.0239 H 0 0 0 0 0
0.6662 -5.3756 4.7074 H 0 0 0 0 0
-0.6272 -5.2652 2.5700 H 0 0 0 0 0
0.0300 -3.6842 0.7953 H 0 0 0 0 0
5.0569 -1.5000 -0.4374 H 0 0 0 0 0
7.0365 -0.3324 0.4516 H 0 0 0 0 0
6.8657 1.0364 2.5360 H 0 0 0 0 0
4.6632 1.2478 3.7011 H 0 0 0 0 0
2.6569 0.1188 2.7908 H 0 0 0 0 0
-3.1849 2.7955 -2.5425 H 0 0 0 0 0
-4.0593 2.2779 -4.7924 H 0 0 0 0 0
-3.4716 0.1205 -5.9078 H 0 0 0 0 0
-2.0239 -1.5340 -4.7144 H 0 0 0 0 0
-1.1149 -0.9986 -2.4682 H 0 0 0 0 0
0.0849 2.3852 1.5776 H 0 0 0 0 0
0.8246 4.6387 2.2757 H 0 0 0 0 0
0.3629 6.6219 0.8221 H 0 0 0 0 0
-0.8555 6.3149 -1.3365 H 0 0 0 0 0
-1.5785 4.0746 -2.0551 H 0 0 0 0 0
-3.1824 -0.9476 -0.6037 H 0 0 0 0 0
-5.2797 -1.3605 0.6443 H 0 0 0 0 0
-6.1750 0.3688 2.2115 H 0 0 0 0 0
-4.9429 2.5200 2.5189 H 0 0 0 0 0
-2.8474 2.9476 1.2892 H 0 0 0 0 0
1 20 1 6 0 0
1 39 1 0 0 0
1 40 1 1 0 0
1 41 1 0 0 0
2 3 2 0 0 0
2 7 1 0 0 0
2 20 1 1 0 0
3 4 1 6 0 0
3 60 1 0 0 0
4 5 2 0 0 0
4 61 1 6 0 0
5 6 1 1 0 0
5 62 1 6 0 0
6 7 2 0 0 0
6 63 1 0 0 0
7 64 1 1 0 0
8 9 2 0 0 0
8 13 1 1 0 0
8 20 1 0 0 0
9 10 1 0 0 0
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10 11 2 0 0 0
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11 12 1 1 0 0
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12 13 2 0 0 0
12 68 1 1 0 0
13 69 1 1 0 0
14 15 2 0 0 0
14 19 1 0 0 0
14 20 1 1 0 0
15 16 1 6 0 0
15 70 1 0 0 0
16 17 2 0 0 0
16 71 1 6 0 0
17 18 1 1 0 0
17 72 1 6 0 0
18 19 2 0 0 0
18 73 1 0 0 0
19 74 1 1 0 0
21 22 2 0 0 0
21 26 1 0 0 0
21 39 1 1 0 0
22 23 1 6 0 0
22 75 1 0 0 0
23 24 2 0 0 0
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24 25 1 1 0 0
24 77 1 6 0 0
25 26 2 0 0 0
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26 79 1 1 0 0
27 28 2 0 0 0
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28 29 1 1 0 0
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29 30 2 0 0 0
29 81 1 1 0 0
30 31 1 6 0 0
30 82 1 1 0 0
31 32 2 0 0 0
31 83 1 0 0 0
32 84 1 6 0 0
33 34 2 0 0 0
33 38 1 1 0 0
33 39 1 0 0 0
34 35 1 0 0 0
34 85 1 6 0 0
35 36 2 0 0 0
35 86 1 6 0 0
36 37 1 1 0 0
36 87 1 0 0 0
37 38 2 0 0 0
37 88 1 1 0 0
38 89 1 1 0 0
41 42 1 6 0 0
41 48 1 0 0 0
41 54 1 1 0 0
42 43 2 0 0 0
42 47 1 0 0 0
43 44 1 6 0 0
43 90 1 1 0 0
44 45 2 0 0 0
44 91 1 0 0 0
45 46 1 1 0 0
45 92 1 6 0 0
46 47 2 0 0 0
46 93 1 0 0 0
47 94 1 1 0 0
48 49 2 0 0 0
48 53 1 6 0 0
49 50 1 0 0 0
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50 51 2 0 0 0
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52 98 1 6 0 0
53 99 1 6 0 0
54 55 2 0 0 0
54 59 1 1 0 0
55 56 1 1 0 0
55100 1 6 0 0
56 57 2 0 0 0
56101 1 0 0 0
57 58 1 0 0 0
57102 1 1 0 0
58 59 2 0 0 0
58103 1 1 0 0
59104 1 0 0 0
M END</inlineContents>
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The formula for Wilkinsons Catalyst is C54H45ClP3Rh

==An example of the Wilkinson Catalyst reaction:==
The Wilkinson catalyst RhCl(PPh3)3 is known to react with pyridine to lead to the 'reductive coupling of aldehydes'2. The pyridine molecule is able to react well with the catalyst since it is able to exchange its ligands with the catalyst, for example [RhCl(py)(PPh3)2]. When the pyridine reacts with the catalyst, a solution forms and chemists are then able to study the selectivity of the catalyst as to maximise its role as a catalyst.
The catalyst is used in pyridine to hydrogenate and alkyl couple with the aldehyde. Then as the phosphine and pyridine complex reacts with hydrogen, a cis-dihydride is shown to form via an oxidative addition mechanism.

[[Image:Wilk_cat_rxn.JPG|thumb|centre|500|Wilkinson catalyst reaction for the reductive coupling of aldehydes]]

[[Image:Aldehyde_coupling.JPG|thumb|centre|500|proof of the catalytic cycle]]

2.J. Chem. Soc., Dalton Trans., 1994, 2875 - 2880, DOI: 10.1039/DT9940002875

{{doi-inline|10.1039/DT9940002875|Wilkinson catalyst reaction with pyridine}}

==Fluorous Version of the Wilkinson Catalyst==

The following example shows how versatile the Wilkinson catalyst is as there are different versions and generations of the catalyst known throughout the world. The example used here is tris(arylphosphine)rhodium(I) chloride and with reference to hydrogenation, it is highly reactive to 1-alkenes. The great advantage of this catalyst is that it can be recycled using 'fluorous biphasic separation'.

[[Image:Wilk_cat_with_fluorene.JPG|thumb|centre|500|Fluorous hydrogenation of a 1-alkene]]

Catalyst recycling is hugely important in industry as the catalyst may be toxic or expensive materials are used to form the catalyst. To maintain the catalyst efficiency as well as the recovery, the catalyst must be immobilised in the mobile substrate phase. Now the fluorene does so by creating a liquid biphase to immobilise the Wilkinson catalyst.

http://igitur-archive.library.uu.nl/chem/2005-0622-175149/11590.pdf

==Structure and Synthesis==
Wilkinson catalyst is a square planar complex which has a molecular formula of RhCl(PPh3)3. It can be prepared by mixing rhodium trichloride and triphenylphosphine in ethanol and refluxing for 2-3 hrs.

RhCl3(H2O)3 + CH3CH2OH + 3 PPh3 -> RhCl(PPh3)3 + CH3CHO + 2 HCl + 3 H2O

[[image:Wilkinson_Catalyst1.JPG]]

[[Image:Wilkinson_Catalyst.GIF|thumb|A scheme showing how the catalyst works]]

Wilkinson catalyst is widely used in a hydrogenation of alkene. Let’s consider in the hydrogenation of propylene (C3H6). At first, the chlorotrisr(triphenylphosphine)rhodium(I) lose a triphenylphosphine group and become a trigonal planar complex. Note the oxidation state of rhodium is still (I). Then Addition of H2 to the central metal atom results in a trigonal bipyramid complex. Now the oxidation state of rhodium has changed to (III). Then propylene will attack the central atom and a transition state which the central atom has 6 coordinates (octahedral complex). The propylene is then very quickly comes off with the 2 hydrogen and reduce to an alkane (propane). The catalyst is back to a trigonal planar complex at this stage and can be used to catalyst the hydrogenation of the next propylene molecule.

The link below contain an animation which show how the H2 and the alkene attach to the metal centre. [|http://www.ncl.ox.ac.uk/quicktime/hydrogenation.html]

==A brief history of the Wilkinson catalyst:==
The catalyst is named after Profesor Sir Geoffrey Wilkinson who won a Nobel Laureate for chemistry. The structure as you can see above is organometallic and 'activates' small molecules therefore the catalyst lowers the activation energies for bond making and bond breaking. Profesor Wilkinson himself was involved heavily in the inorganic field and pioneered the organometallic chemistry age.

http://www.3dchem.com/molecules.asp?ID=35#

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<inlineContents>HEADER CSD ENTRY TPPRHC01
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 19.470 12.689 18.202 90.00 90.00 90.00 P n a 21 4
ATOM 1 Rh1 UNK 0 1 1.227 0.367 4.551 1.00 0.00
ATOM 2 Cl1 UNK 0 1 -0.989 0.921 3.801 1.00 0.00
ATOM 3 P1 UNK 0 1 1.558 2.646 4.651 1.00 0.00
ATOM 4 P2 UNK 0 1 3.355 -0.253 4.745 1.00 0.00
ATOM 5 P3 UNK 0 1 0.300 -1.728 5.018 1.00 0.00
ATOM 6 C1 UNK 0 1 0.481 3.464 5.897 1.00 0.00
ATOM 7 C2 UNK 0 1 0.724 4.784 6.260 1.00 0.00
ATOM 8 C3 UNK 0 1 -0.105 5.416 7.181 1.00 0.00
ATOM 9 C4 UNK 0 1 -1.178 4.733 7.741 1.00 0.00
ATOM 10 C5 UNK 0 1 -1.421 3.401 7.379 1.00 0.00
ATOM 11 C6 UNK 0 1 -0.594 2.771 6.458 1.00 0.00
ATOM 12 C7 UNK 0 1 1.180 3.528 3.093 1.00 0.00
ATOM 13 C8 UNK 0 1 1.279 2.774 1.928 1.00 0.00
ATOM 14 C9 UNK 0 1 1.069 3.375 0.690 1.00 0.00
ATOM 15 C10 UNK 0 1 0.757 4.733 0.617 1.00 0.00
ATOM 16 C11 UNK 0 1 0.658 5.484 1.782 1.00 0.00
ATOM 17 C12 UNK 0 1 0.868 4.885 3.020 1.00 0.00
ATOM 18 C13 UNK 0 1 3.154 3.416 5.129 1.00 0.00
ATOM 19 C14 UNK 0 1 3.913 4.126 4.201 1.00 0.00
ATOM 20 C15 UNK 0 1 5.089 4.753 4.605 1.00 0.00
ATOM 21 C16 UNK 0 1 5.510 4.670 5.923 1.00 0.00
ATOM 22 C17 UNK 0 1 4.751 3.958 6.849 1.00 0.00
ATOM 23 C18 UNK 0 1 3.577 3.331 6.462 1.00 0.00
ATOM 24 C19 UNK 0 1 4.665 0.803 4.004 1.00 0.00
ATOM 25 C20 UNK 0 1 4.517 1.081 2.641 1.00 0.00
ATOM 26 C21 UNK 0 1 5.491 1.807 1.968 1.00 0.00
ATOM 27 C22 UNK 0 1 6.622 2.255 2.657 1.00 0.00
ATOM 28 C23 UNK 0 1 6.776 1.978 4.006 1.00 0.00
ATOM 29 C24 UNK 0 1 5.802 1.252 4.680 1.00 0.00
ATOM 30 C25 UNK 0 1 3.670 -1.769 3.726 1.00 0.00
ATOM 31 C26 UNK 0 1 2.884 -1.902 2.585 1.00 0.00
ATOM 32 C27 UNK 0 1 3.102 -2.957 1.709 1.00 0.00
ATOM 33 C28 UNK 0 1 4.106 -3.888 1.975 1.00 0.00
ATOM 34 C29 UNK 0 1 4.893 -3.755 3.116 1.00 0.00
ATOM 35 C30 UNK 0 1 4.675 -2.690 3.992 1.00 0.00
ATOM 36 C31 UNK 0 1 3.972 -0.558 6.480 1.00 0.00
ATOM 37 C32 UNK 0 1 5.218 -1.104 6.771 1.00 0.00
ATOM 38 C33 UNK 0 1 5.605 -1.320 8.100 1.00 0.00
ATOM 39 C34 UNK 0 1 4.751 -0.964 9.137 1.00 0.00
ATOM 40 C35 UNK 0 1 3.505 -0.406 8.846 1.00 0.00
ATOM 41 C36 UNK 0 1 3.117 -0.203 7.517 1.00 0.00
ATOM 42 C37 UNK 0 1 -1.038 -1.377 6.254 1.00 0.00
ATOM 43 C38 UNK 0 1 -0.738 -0.510 7.303 1.00 0.00
ATOM 44 C39 UNK 0 1 -1.706 -0.212 8.258 1.00 0.00
ATOM 45 C40 UNK 0 1 -2.973 -0.778 8.165 1.00 0.00
ATOM 46 C41 UNK 0 1 -3.275 -1.643 7.119 1.00 0.00
ATOM 47 C42 UNK 0 1 -2.307 -1.943 6.161 1.00 0.00
ATOM 48 C43 UNK 0 1 1.264 -3.073 5.839 1.00 0.00
ATOM 49 C44 UNK 0 1 1.879 -4.060 5.069 1.00 0.00
ATOM 50 C45 UNK 0 1 2.658 -5.035 5.681 1.00 0.00
ATOM 51 C46 UNK 0 1 2.821 -5.031 7.062 1.00 0.00
ATOM 52 C47 UNK 0 1 2.206 -4.048 7.834 1.00 0.00
ATOM 53 C48 UNK 0 1 1.427 -3.069 7.223 1.00 0.00
ATOM 54 C49 UNK 0 1 -0.541 -2.690 3.708 1.00 0.00
ATOM 55 C50 UNK 0 1 -0.641 -2.122 2.439 1.00 0.00
ATOM 56 C51 UNK 0 1 -1.266 -2.817 1.411 1.00 0.00
ATOM 57 C52 UNK 0 1 -1.793 -4.086 1.649 1.00 0.00
ATOM 58 C53 UNK 0 1 -1.694 -4.656 2.918 1.00 0.00
ATOM 59 C54 UNK 0 1 -1.069 -3.959 3.946 1.00 0.00
ATOM 60 H1 UNK 0 1 1.499 5.279 5.861 1.00 0.00
ATOM 61 H2 UNK 0 1 0.078 6.357 7.463 1.00 0.00
ATOM 62 H3 UNK 0 1 -1.772 5.177 8.409 1.00 0.00
ATOM 63 H4 UNK 0 1 -2.181 2.906 7.772 1.00 0.00
ATOM 64 H5 UNK 0 1 -0.759 1.827 6.189 1.00 0.00
ATOM 65 H6 UNK 0 1 1.499 1.802 1.984 1.00 0.00
ATOM 66 H7 UNK 0 1 1.149 2.830 -0.146 1.00 0.00
ATOM 67 H8 UNK 0 1 0.604 5.164 -0.273 1.00 0.00
ATOM 68 H9 UNK 0 1 0.428 6.459 1.729 1.00 0.00
ATOM 69 H10 UNK 0 1 0.798 5.418 3.859 1.00 0.00
ATOM 70 H11 UNK 0 1 3.621 4.200 3.258 1.00 0.00
ATOM 71 H12 UNK 0 1 5.646 5.279 3.968 1.00 0.00
ATOM 72 H13 UNK 0 1 6.347 5.114 6.243 1.00 0.00
ATOM 73 H14 UNK 0 1 5.043 3.870 7.809 1.00 0.00
ATOM 74 H15 UNK 0 1 3.018 2.804 7.117 1.00 0.00
ATOM 75 H16 UNK 0 1 3.699 0.761 2.148 1.00 0.00
ATOM 76 H17 UNK 0 1 5.393 2.005 0.983 1.00 0.00
ATOM 77 H18 UNK 0 1 7.321 2.779 2.166 1.00 0.00
ATOM 78 H19 UNK 0 1 7.593 2.297 4.496 1.00 0.00
ATOM 79 H20 UNK 0 1 5.899 1.053 5.643 1.00 0.00
ATOM 80 H21 UNK 0 1 2.161 -1.231 2.403 1.00 0.00
ATOM 81 H22 UNK 0 1 2.531 -3.058 0.892 1.00 0.00
ATOM 82 H23 UNK 0 1 4.264 -4.644 1.347 1.00 0.00
ATOM 83 H24 UNK 0 1 5.607 -4.428 3.295 1.00 0.00
ATOM 84 H25 UNK 0 1 5.237 -2.601 4.805 1.00 0.00
ATOM 85 H26 UNK 0 1 5.841 -1.358 6.025 1.00 0.00
ATOM 86 H27 UNK 0 1 6.503 -1.713 8.318 1.00 0.00
ATOM 87 H28 UNK 0 1 5.004 -1.104 10.084 1.00 0.00
ATOM 88 H29 UNK 0 1 2.882 -0.152 9.592 1.00 0.00
ATOM 89 H30 UNK 0 1 2.220 0.190 7.317 1.00 0.00
ATOM 90 H31 UNK 0 1 0.175 -0.102 7.372 1.00 0.00
ATOM 91 H32 UNK 0 1 -1.499 0.406 9.010 1.00 0.00
ATOM 92 H33 UNK 0 1 -3.660 -0.571 8.846 1.00 0.00
ATOM 93 H34 UNK 0 1 -4.186 -2.056 7.044 1.00 0.00
ATOM 94 H35 UNK 0 1 -2.531 -2.563 5.406 1.00 0.00
ATOM 95 H36 UNK 0 1 1.772 -4.073 4.077 1.00 0.00
ATOM 96 H37 UNK 0 1 3.115 -5.748 5.151 1.00 0.00
ATOM 97 H38 UNK 0 1 3.368 -5.723 7.536 1.00 0.00
ATOM 98 H39 UNK 0 1 2.317 -4.035 8.846 1.00 0.00
ATOM 99 H40 UNK 0 1 0.974 -2.360 7.772 1.00 0.00
ATOM 100 H41 UNK 0 1 -0.253 -1.218 2.257 1.00 0.00
ATOM 101 H42 UNK 0 1 -1.343 -2.424 0.491 1.00 0.00
ATOM 102 H43 UNK 0 1 -2.239 -4.606 0.910 1.00 0.00
ATOM 103 H44 UNK 0 1 -2.083 -5.570 3.094 1.00 0.00
ATOM 104 H45 UNK 0 1 -0.993 -4.352 4.860 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1
CONECT 3 1 6 12 18
CONECT 4 1 24 30 36
CONECT 5 1 42 48 54
CONECT 6 3 7 11
CONECT 7 6 8 60
CONECT 8 7 9 61
CONECT 9 8 10 62
CONECT 10 9 11 63
CONECT 11 6 10 64
CONECT 12 3 13 17
CONECT 13 12 14 65
CONECT 14 13 15 66
CONECT 15 14 16 67
CONECT 16 15 17 68
CONECT 17 12 16 69
CONECT 18 3 19 23
CONECT 19 18 20 70
CONECT 20 19 21 71
CONECT 21 20 22 72
CONECT 22 21 23 73
CONECT 23 18 22 74
CONECT 24 4 25 29
CONECT 25 24 26 75
CONECT 26 25 27 76
CONECT 27 26 28 77
CONECT 28 27 29 78
CONECT 29 24 28 79
CONECT 30 4 31 35
CONECT 31 30 32 80
CONECT 32 31 33 81
CONECT 33 32 34 82
CONECT 34 33 35 83
CONECT 35 30 34 84
CONECT 36 4 37 41
CONECT 37 36 38 85
CONECT 38 37 39 86
CONECT 39 38 40 87
CONECT 40 39 41 88
CONECT 41 36 40 89
CONECT 42 5 43 47
CONECT 43 42 44 90
CONECT 44 43 45 91
CONECT 45 44 46 92
CONECT 46 45 47 93
CONECT 47 42 46 94
CONECT 48 5 49 53
CONECT 49 48 50 95
CONECT 50 49 51 96
CONECT 51 50 52 97
CONECT 52 51 53 98
CONECT 53 48 52 99
CONECT 54 5 55 59
CONECT 55 54 56 100
CONECT 56 55 57 101
CONECT 57 56 58 102
CONECT 58 57 59 103
CONECT 59 54 58 104
CONECT 60 7
CONECT 61 8
CONECT 62 9
CONECT 63 10
CONECT 64 11
CONECT 65 13
CONECT 66 14
CONECT 67 15
CONECT 68 16
CONECT 69 17
CONECT 70 19
CONECT 71 20
CONECT 72 21
CONECT 73 22
CONECT 74 23
CONECT 75 25
CONECT 76 26
CONECT 77 27
CONECT 78 28
CONECT 79 29
CONECT 80 31
CONECT 81 32
CONECT 82 33
CONECT 83 34
CONECT 84 35
CONECT 85 37
CONECT 86 38
CONECT 87 39
CONECT 88 40
CONECT 89 41
CONECT 90 43
CONECT 91 44
CONECT 92 45
CONECT 93 46
CONECT 94 47
CONECT 95 49
CONECT 96 50
CONECT 97 51
CONECT 98 52
CONECT 99 53
CONECT 100 55
CONECT 101 56
CONECT 102 57
CONECT 103 58
CONECT 104 59
MASTER 0 0 0 0 0 0 0 0 104 0 104 0
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The above 3D picture was firstly drawn in the ConQuest programme using 2D tools and then a search for the 3D molecule was made giving the following hit as you see.

==Comparison with other catalysts:==
Two other famous catalysts used in many chemical reactions are Ni and Pd and these comoplexes can be better or worse than the Wilkinson catalyst in some properties. For example, the Wilkinson catalyst is more active and so faster reactions are possible. This is shown by comparing therate constants in the table below as the magnitude of k is largest for the Wilkinson catalyst. Another advantage of this catalyst is that in comparison with the reactant and product phases, the catalyst can either be homogeneous or heterogeneous, whilst the other 2 catalyst are normally in the solid phase.

[[Image:cattable.gif|thumb|centre|500|Comparison of the Wilkinson catalyst with Pd and Ni]]

With THT present (above in the table), the Rh complex will change its coordination by a larger amount but the Pd and Ni catalyst retain its original coordination number. Once again, this is better as a catalyst as the larger surface in the larger coordination sphere is able to act as an bigger active site for the reactants to attach to. Finally, the Rh catalyst shows a great resistance to sulphur poisoning with organic compounds containing S atoms but Pd and Ni do not. The Wilkinson catalyst works well when it is complexed to a γ-Al2O3 surface to catalyse the hydrogenation reaction of olefins.

Ref:

[http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TGM-3Y9RF5P-J&_coverDate=12%2F15%2F1999&_alid=475460761&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=5258&_sort=d&view=c&_acct=C000011279&_version=1&_urlVersion=0&_userid=217827&md5=16c34de59089a2a3e11dc01745af7d7d Journal of Molecular Catalysis A: Chemical Volume 149, Issues 1-2 , 15 December 1999, Pages 147-152]

The Wilkinson catalyst is a well known homogeneous catalyst. The advantages of it being homogeneous rather than heterogeneous is that the catalyst is dissolved in with the reagents and therefore the rate of reaction is likely to be greater. Also the ligands on the catalyst can be 'tuned' as to achieve 'selective reductions'1. However, the separation of the catalyst from the reagents and products will be difficult as they are in the same phase.

1 = from the Organic Synthesis notes of Alan Armstrong.

==Olefin hydrogenation with the Wilkinson catalyst==
Adding to the above reaction scheme done by a collegeaue, the catalyst will react the olefin in the following ways to give transition stages on the way to the product.

[[Image:Stereochemwilk.GIF|thumb|centre|200|Description of image]]

The diagram shows the bond angles and bond lengths in angstroms. The angle of attack from the differing molecules is also shown according to experimental data.

Ref: J. Am. Chem. SOC. 1987, 109, 3455-3456

==References and External Links==

1. [http://www.sciencedirect.com/science/article/B6THD-4KWK10C-1/2/23598dfb1e674011a2e6aaef2ff7a4fe R. Acosta Ortiz, M. Sangermano, R. Bongiovanni, A. E. Garcia Valdez, L. B. Duarte, I. P. Saucedo and A. Priola, ''Progress in Organic Coatings'', 2006, '''57''', 159-164.]

==Properties==
{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Wilkinson's catalyst'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Wilkinson's_catalyst1.png]]
|-
| [[IUPAC nomenclature|Chemical name]]
| ''Chlorotris(triphenylphosphine)- rhodium''
|-
| [[CAS nummber]]
| 14694-95-2
|-
| [[Chemical formula]]
| {{{formula|C54H45ClP3Rh
|-
| [[Molecular mass]]
| {{{mol_mass|925.22 g/mol
|-
| [[Solubility in water]]
| {{{Solubility in water|Insoluble
|-
| [[Melting point]]
| {{{Melting point|245-250 °C
|-
| [[Appearance]]
| {{{Appearance| red solid
|-
| [[Coordination geometry]]
| {{{Coordination geometry| square planar
|}

It:wilkinson

2006-12-07T18:47:25Z

Nkwt05: /* An example of the Wilkinson Catalyst reaction: */

==Wilkinson's Catalyst==

Wilkinson's catalyst is ''Tris(triphenylphosphine) rhodium(I) chloride'' or ''chloro-tris(triphenylphosphine) rhodium(i)'' the structure of which is shown in the picture below:

[[Image:WCat.gif|thumb|A gif picture of Tris(triphenylphosphine) rhodium(I) chloride (Wilkinson's catalyst) from eMolecules.com]]

And here is a 3D picture:

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-3.0491 0.3654 -4.9203 C 0 0 0 0 0
-2.2384 -0.5554 -4.2555 C 0 0 0 0 0
-1.7160 -0.2435 -2.9988 C 0 0 0 0 0
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-0.6485 5.4438 -0.6940 C 0 0 0 0 0
-1.0576 4.1696 -1.0938 C 0 0 0 0 0
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-3.5530 -0.1726 0.0865 C 0 0 0 0 0
-4.7370 -0.4120 0.7866 C 0 0 0 0 0
-5.2370 0.5519 1.6631 C 0 0 0 0 0
-4.5463 1.7523 1.8348 C 0 0 0 0 0
-3.3593 1.9856 1.1369 C 0 0 0 0 0
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The formula for Wilkinsons Catalyst is C54H45ClP3Rh

==An example of the Wilkinson Catalyst reaction:==
The Wilkinson catalyst RhCl(PPh3)3 is known to react with pyridine to lead to the 'reductive coupling of aldehydes'2. The pyridine molecule is able to react well with the catalyst since it is able to exchange its ligands with the catalyst, for example [RhCl(py)(PPh3)2]. When the pyridine reacts with the catalyst, a solution forms and chemists are then able to study the selectivity of the catalyst as to maximise its role as a catalyst.
The catalyst is used in pyridine to hydrogenate and alkyl couple with the aldehyde. Then as the phosphine and pyridine complex reacts with hydrogen, a cis-dihydride is shown to form via an oxidative addition mechanism.

[[Image:Wilk_cat_rxn.JPG|thumb|centre|500|Wilkinson catalyst reaction for the reductive coupling of aldehydes]]

[[Image:Aldehyde_coupling.JPG|thumb|centre|500|proof of the catalytic cycle]]

2.J. Chem. Soc., Dalton Trans., 1994, 2875 - 2880, DOI: 10.1039/DT9940002875

{{doi-inline|10.1039/DT9940002875|Wilkinson catalyst reaction with pyridine}}

==Fluorous Version of the Wilkinson Catalyst==

The following example shows how versatile the Wilkinson catalyst is as there are different versions and generations of the catalyst known throughout the world. The example used here is tris(arylphosphine)rhodium(I) chloride and with reference to hydrogenation, it is highly reactive to 1-alkenes. The great advantage of this catalyst is that it can be recycled using 'fluorous biphasic separation'.

[[Image:Wilk_cat_with_fluorene.JPG|thumb|centre|500|Fluorous hydrogenation of a 1-alkene]]

==Structure and Synthesis==
Wilkinson catalyst is a square planar complex which has a molecular formula of RhCl(PPh3)3. It can be prepared by mixing rhodium trichloride and triphenylphosphine in ethanol and refluxing for 2-3 hrs.

RhCl3(H2O)3 + CH3CH2OH + 3 PPh3 -> RhCl(PPh3)3 + CH3CHO + 2 HCl + 3 H2O

[[image:Wilkinson_Catalyst1.JPG]]

[[Image:Wilkinson_Catalyst.GIF|thumb|A scheme showing how the catalyst works]]

Wilkinson catalyst is widely used in a hydrogenation of alkene. Let’s consider in the hydrogenation of propylene (C3H6). At first, the chlorotrisr(triphenylphosphine)rhodium(I) lose a triphenylphosphine group and become a trigonal planar complex. Note the oxidation state of rhodium is still (I). Then Addition of H2 to the central metal atom results in a trigonal bipyramid complex. Now the oxidation state of rhodium has changed to (III). Then propylene will attack the central atom and a transition state which the central atom has 6 coordinates (octahedral complex). The propylene is then very quickly comes off with the 2 hydrogen and reduce to an alkane (propane). The catalyst is back to a trigonal planar complex at this stage and can be used to catalyst the hydrogenation of the next propylene molecule.

The link below contain an animation which show how the H2 and the alkene attach to the metal centre. [|http://www.ncl.ox.ac.uk/quicktime/hydrogenation.html]

==A brief history of the Wilkinson catalyst:==
The catalyst is named after Profesor Sir Geoffrey Wilkinson who won a Nobel Laureate for chemistry. The structure as you can see above is organometallic and 'activates' small molecules therefore the catalyst lowers the activation energies for bond making and bond breaking. Profesor Wilkinson himself was involved heavily in the inorganic field and pioneered the organometallic chemistry age.

http://www.3dchem.com/molecules.asp?ID=35#

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<inlineContents>HEADER CSD ENTRY TPPRHC01
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 19.470 12.689 18.202 90.00 90.00 90.00 P n a 21 4
ATOM 1 Rh1 UNK 0 1 1.227 0.367 4.551 1.00 0.00
ATOM 2 Cl1 UNK 0 1 -0.989 0.921 3.801 1.00 0.00
ATOM 3 P1 UNK 0 1 1.558 2.646 4.651 1.00 0.00
ATOM 4 P2 UNK 0 1 3.355 -0.253 4.745 1.00 0.00
ATOM 5 P3 UNK 0 1 0.300 -1.728 5.018 1.00 0.00
ATOM 6 C1 UNK 0 1 0.481 3.464 5.897 1.00 0.00
ATOM 7 C2 UNK 0 1 0.724 4.784 6.260 1.00 0.00
ATOM 8 C3 UNK 0 1 -0.105 5.416 7.181 1.00 0.00
ATOM 9 C4 UNK 0 1 -1.178 4.733 7.741 1.00 0.00
ATOM 10 C5 UNK 0 1 -1.421 3.401 7.379 1.00 0.00
ATOM 11 C6 UNK 0 1 -0.594 2.771 6.458 1.00 0.00
ATOM 12 C7 UNK 0 1 1.180 3.528 3.093 1.00 0.00
ATOM 13 C8 UNK 0 1 1.279 2.774 1.928 1.00 0.00
ATOM 14 C9 UNK 0 1 1.069 3.375 0.690 1.00 0.00
ATOM 15 C10 UNK 0 1 0.757 4.733 0.617 1.00 0.00
ATOM 16 C11 UNK 0 1 0.658 5.484 1.782 1.00 0.00
ATOM 17 C12 UNK 0 1 0.868 4.885 3.020 1.00 0.00
ATOM 18 C13 UNK 0 1 3.154 3.416 5.129 1.00 0.00
ATOM 19 C14 UNK 0 1 3.913 4.126 4.201 1.00 0.00
ATOM 20 C15 UNK 0 1 5.089 4.753 4.605 1.00 0.00
ATOM 21 C16 UNK 0 1 5.510 4.670 5.923 1.00 0.00
ATOM 22 C17 UNK 0 1 4.751 3.958 6.849 1.00 0.00
ATOM 23 C18 UNK 0 1 3.577 3.331 6.462 1.00 0.00
ATOM 24 C19 UNK 0 1 4.665 0.803 4.004 1.00 0.00
ATOM 25 C20 UNK 0 1 4.517 1.081 2.641 1.00 0.00
ATOM 26 C21 UNK 0 1 5.491 1.807 1.968 1.00 0.00
ATOM 27 C22 UNK 0 1 6.622 2.255 2.657 1.00 0.00
ATOM 28 C23 UNK 0 1 6.776 1.978 4.006 1.00 0.00
ATOM 29 C24 UNK 0 1 5.802 1.252 4.680 1.00 0.00
ATOM 30 C25 UNK 0 1 3.670 -1.769 3.726 1.00 0.00
ATOM 31 C26 UNK 0 1 2.884 -1.902 2.585 1.00 0.00
ATOM 32 C27 UNK 0 1 3.102 -2.957 1.709 1.00 0.00
ATOM 33 C28 UNK 0 1 4.106 -3.888 1.975 1.00 0.00
ATOM 34 C29 UNK 0 1 4.893 -3.755 3.116 1.00 0.00
ATOM 35 C30 UNK 0 1 4.675 -2.690 3.992 1.00 0.00
ATOM 36 C31 UNK 0 1 3.972 -0.558 6.480 1.00 0.00
ATOM 37 C32 UNK 0 1 5.218 -1.104 6.771 1.00 0.00
ATOM 38 C33 UNK 0 1 5.605 -1.320 8.100 1.00 0.00
ATOM 39 C34 UNK 0 1 4.751 -0.964 9.137 1.00 0.00
ATOM 40 C35 UNK 0 1 3.505 -0.406 8.846 1.00 0.00
ATOM 41 C36 UNK 0 1 3.117 -0.203 7.517 1.00 0.00
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ATOM 44 C39 UNK 0 1 -1.706 -0.212 8.258 1.00 0.00
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ATOM 46 C41 UNK 0 1 -3.275 -1.643 7.119 1.00 0.00
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ATOM 48 C43 UNK 0 1 1.264 -3.073 5.839 1.00 0.00
ATOM 49 C44 UNK 0 1 1.879 -4.060 5.069 1.00 0.00
ATOM 50 C45 UNK 0 1 2.658 -5.035 5.681 1.00 0.00
ATOM 51 C46 UNK 0 1 2.821 -5.031 7.062 1.00 0.00
ATOM 52 C47 UNK 0 1 2.206 -4.048 7.834 1.00 0.00
ATOM 53 C48 UNK 0 1 1.427 -3.069 7.223 1.00 0.00
ATOM 54 C49 UNK 0 1 -0.541 -2.690 3.708 1.00 0.00
ATOM 55 C50 UNK 0 1 -0.641 -2.122 2.439 1.00 0.00
ATOM 56 C51 UNK 0 1 -1.266 -2.817 1.411 1.00 0.00
ATOM 57 C52 UNK 0 1 -1.793 -4.086 1.649 1.00 0.00
ATOM 58 C53 UNK 0 1 -1.694 -4.656 2.918 1.00 0.00
ATOM 59 C54 UNK 0 1 -1.069 -3.959 3.946 1.00 0.00
ATOM 60 H1 UNK 0 1 1.499 5.279 5.861 1.00 0.00
ATOM 61 H2 UNK 0 1 0.078 6.357 7.463 1.00 0.00
ATOM 62 H3 UNK 0 1 -1.772 5.177 8.409 1.00 0.00
ATOM 63 H4 UNK 0 1 -2.181 2.906 7.772 1.00 0.00
ATOM 64 H5 UNK 0 1 -0.759 1.827 6.189 1.00 0.00
ATOM 65 H6 UNK 0 1 1.499 1.802 1.984 1.00 0.00
ATOM 66 H7 UNK 0 1 1.149 2.830 -0.146 1.00 0.00
ATOM 67 H8 UNK 0 1 0.604 5.164 -0.273 1.00 0.00
ATOM 68 H9 UNK 0 1 0.428 6.459 1.729 1.00 0.00
ATOM 69 H10 UNK 0 1 0.798 5.418 3.859 1.00 0.00
ATOM 70 H11 UNK 0 1 3.621 4.200 3.258 1.00 0.00
ATOM 71 H12 UNK 0 1 5.646 5.279 3.968 1.00 0.00
ATOM 72 H13 UNK 0 1 6.347 5.114 6.243 1.00 0.00
ATOM 73 H14 UNK 0 1 5.043 3.870 7.809 1.00 0.00
ATOM 74 H15 UNK 0 1 3.018 2.804 7.117 1.00 0.00
ATOM 75 H16 UNK 0 1 3.699 0.761 2.148 1.00 0.00
ATOM 76 H17 UNK 0 1 5.393 2.005 0.983 1.00 0.00
ATOM 77 H18 UNK 0 1 7.321 2.779 2.166 1.00 0.00
ATOM 78 H19 UNK 0 1 7.593 2.297 4.496 1.00 0.00
ATOM 79 H20 UNK 0 1 5.899 1.053 5.643 1.00 0.00
ATOM 80 H21 UNK 0 1 2.161 -1.231 2.403 1.00 0.00
ATOM 81 H22 UNK 0 1 2.531 -3.058 0.892 1.00 0.00
ATOM 82 H23 UNK 0 1 4.264 -4.644 1.347 1.00 0.00
ATOM 83 H24 UNK 0 1 5.607 -4.428 3.295 1.00 0.00
ATOM 84 H25 UNK 0 1 5.237 -2.601 4.805 1.00 0.00
ATOM 85 H26 UNK 0 1 5.841 -1.358 6.025 1.00 0.00
ATOM 86 H27 UNK 0 1 6.503 -1.713 8.318 1.00 0.00
ATOM 87 H28 UNK 0 1 5.004 -1.104 10.084 1.00 0.00
ATOM 88 H29 UNK 0 1 2.882 -0.152 9.592 1.00 0.00
ATOM 89 H30 UNK 0 1 2.220 0.190 7.317 1.00 0.00
ATOM 90 H31 UNK 0 1 0.175 -0.102 7.372 1.00 0.00
ATOM 91 H32 UNK 0 1 -1.499 0.406 9.010 1.00 0.00
ATOM 92 H33 UNK 0 1 -3.660 -0.571 8.846 1.00 0.00
ATOM 93 H34 UNK 0 1 -4.186 -2.056 7.044 1.00 0.00
ATOM 94 H35 UNK 0 1 -2.531 -2.563 5.406 1.00 0.00
ATOM 95 H36 UNK 0 1 1.772 -4.073 4.077 1.00 0.00
ATOM 96 H37 UNK 0 1 3.115 -5.748 5.151 1.00 0.00
ATOM 97 H38 UNK 0 1 3.368 -5.723 7.536 1.00 0.00
ATOM 98 H39 UNK 0 1 2.317 -4.035 8.846 1.00 0.00
ATOM 99 H40 UNK 0 1 0.974 -2.360 7.772 1.00 0.00
ATOM 100 H41 UNK 0 1 -0.253 -1.218 2.257 1.00 0.00
ATOM 101 H42 UNK 0 1 -1.343 -2.424 0.491 1.00 0.00
ATOM 102 H43 UNK 0 1 -2.239 -4.606 0.910 1.00 0.00
ATOM 103 H44 UNK 0 1 -2.083 -5.570 3.094 1.00 0.00
ATOM 104 H45 UNK 0 1 -0.993 -4.352 4.860 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1
CONECT 3 1 6 12 18
CONECT 4 1 24 30 36
CONECT 5 1 42 48 54
CONECT 6 3 7 11
CONECT 7 6 8 60
CONECT 8 7 9 61
CONECT 9 8 10 62
CONECT 10 9 11 63
CONECT 11 6 10 64
CONECT 12 3 13 17
CONECT 13 12 14 65
CONECT 14 13 15 66
CONECT 15 14 16 67
CONECT 16 15 17 68
CONECT 17 12 16 69
CONECT 18 3 19 23
CONECT 19 18 20 70
CONECT 20 19 21 71
CONECT 21 20 22 72
CONECT 22 21 23 73
CONECT 23 18 22 74
CONECT 24 4 25 29
CONECT 25 24 26 75
CONECT 26 25 27 76
CONECT 27 26 28 77
CONECT 28 27 29 78
CONECT 29 24 28 79
CONECT 30 4 31 35
CONECT 31 30 32 80
CONECT 32 31 33 81
CONECT 33 32 34 82
CONECT 34 33 35 83
CONECT 35 30 34 84
CONECT 36 4 37 41
CONECT 37 36 38 85
CONECT 38 37 39 86
CONECT 39 38 40 87
CONECT 40 39 41 88
CONECT 41 36 40 89
CONECT 42 5 43 47
CONECT 43 42 44 90
CONECT 44 43 45 91
CONECT 45 44 46 92
CONECT 46 45 47 93
CONECT 47 42 46 94
CONECT 48 5 49 53
CONECT 49 48 50 95
CONECT 50 49 51 96
CONECT 51 50 52 97
CONECT 52 51 53 98
CONECT 53 48 52 99
CONECT 54 5 55 59
CONECT 55 54 56 100
CONECT 56 55 57 101
CONECT 57 56 58 102
CONECT 58 57 59 103
CONECT 59 54 58 104
CONECT 60 7
CONECT 61 8
CONECT 62 9
CONECT 63 10
CONECT 64 11
CONECT 65 13
CONECT 66 14
CONECT 67 15
CONECT 68 16
CONECT 69 17
CONECT 70 19
CONECT 71 20
CONECT 72 21
CONECT 73 22
CONECT 74 23
CONECT 75 25
CONECT 76 26
CONECT 77 27
CONECT 78 28
CONECT 79 29
CONECT 80 31
CONECT 81 32
CONECT 82 33
CONECT 83 34
CONECT 84 35
CONECT 85 37
CONECT 86 38
CONECT 87 39
CONECT 88 40
CONECT 89 41
CONECT 90 43
CONECT 91 44
CONECT 92 45
CONECT 93 46
CONECT 94 47
CONECT 95 49
CONECT 96 50
CONECT 97 51
CONECT 98 52
CONECT 99 53
CONECT 100 55
CONECT 101 56
CONECT 102 57
CONECT 103 58
CONECT 104 59
MASTER 0 0 0 0 0 0 0 0 104 0 104 0
END</inlineContents>
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The above 3D picture was firstly drawn in the ConQuest programme using 2D tools and then a search for the 3D molecule was made giving the following hit as you see.

==Comparison with other catalysts:==
Two other famous catalysts used in many chemical reactions are Ni and Pd and these comoplexes can be better or worse than the Wilkinson catalyst in some properties. For example, the Wilkinson catalyst is more active and so faster reactions are possible. This is shown by comparing therate constants in the table below as the magnitude of k is largest for the Wilkinson catalyst. Another advantage of this catalyst is that in comparison with the reactant and product phases, the catalyst can either be homogeneous or heterogeneous, whilst the other 2 catalyst are normally in the solid phase.

[[Image:cattable.gif|thumb|centre|500|Comparison of the Wilkinson catalyst with Pd and Ni]]

With THT present (above in the table), the Rh complex will change its coordination by a larger amount but the Pd and Ni catalyst retain its original coordination number. Once again, this is better as a catalyst as the larger surface in the larger coordination sphere is able to act as an bigger active site for the reactants to attach to. Finally, the Rh catalyst shows a great resistance to sulphur poisoning with organic compounds containing S atoms but Pd and Ni do not. The Wilkinson catalyst works well when it is complexed to a γ-Al2O3 surface to catalyse the hydrogenation reaction of olefins.

Ref:

[http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TGM-3Y9RF5P-J&_coverDate=12%2F15%2F1999&_alid=475460761&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=5258&_sort=d&view=c&_acct=C000011279&_version=1&_urlVersion=0&_userid=217827&md5=16c34de59089a2a3e11dc01745af7d7d Journal of Molecular Catalysis A: Chemical Volume 149, Issues 1-2 , 15 December 1999, Pages 147-152]

The Wilkinson catalyst is a well known homogeneous catalyst. The advantages of it being homogeneous rather than heterogeneous is that the catalyst is dissolved in with the reagents and therefore the rate of reaction is likely to be greater. Also the ligands on the catalyst can be 'tuned' as to achieve 'selective reductions'1. However, the separation of the catalyst from the reagents and products will be difficult as they are in the same phase.

1 = from the Organic Synthesis notes of Alan Armstrong.

==Olefin hydrogenation with the Wilkinson catalyst==
Adding to the above reaction scheme done by a collegeaue, the catalyst will react the olefin in the following ways to give transition stages on the way to the product.

[[Image:Stereochemwilk.GIF|thumb|centre|200|Description of image]]

The diagram shows the bond angles and bond lengths in angstroms. The angle of attack from the differing molecules is also shown according to experimental data.

Ref: J. Am. Chem. SOC. 1987, 109, 3455-3456

==References and External Links==

1. [http://www.sciencedirect.com/science/article/B6THD-4KWK10C-1/2/23598dfb1e674011a2e6aaef2ff7a4fe R. Acosta Ortiz, M. Sangermano, R. Bongiovanni, A. E. Garcia Valdez, L. B. Duarte, I. P. Saucedo and A. Priola, ''Progress in Organic Coatings'', 2006, '''57''', 159-164.]

==Properties==
{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Wilkinson's catalyst'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Wilkinson's_catalyst1.png]]
|-
| [[IUPAC nomenclature|Chemical name]]
| ''Chlorotris(triphenylphosphine)- rhodium''
|-
| [[CAS nummber]]
| 14694-95-2
|-
| [[Chemical formula]]
| {{{formula|C54H45ClP3Rh
|-
| [[Molecular mass]]
| {{{mol_mass|925.22 g/mol
|-
| [[Solubility in water]]
| {{{Solubility in water|Insoluble
|-
| [[Melting point]]
| {{{Melting point|245-250 °C
|-
| [[Appearance]]
| {{{Appearance| red solid
|-
| [[Coordination geometry]]
| {{{Coordination geometry| square planar
|}

File:Wilk cat with fluorene.JPG

2006-12-07T18:46:18Z

Nkwt05:

It:wilkinson

2006-12-07T18:33:58Z

2006-12-07T18:10:18Z

Nkwt05: /* Comparison with other catalysts: */

==Wilkinson's Catalyst==

Wilkinson's catalyst is ''Tris(triphenylphosphine) rhodium(I) chloride'' or ''chloro-tris(triphenylphosphine) rhodium(i)'' the structure of which is shown in the picture below:

[[Image:WCat.gif|thumb|A gif picture of Tris(triphenylphosphine) rhodium(I) chloride (Wilkinson's catalyst) from eMolecules.com]]

And here is a 3D picture:

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0.0553 2.6804 -5.1025 C 0 0 0 0 0
0.2381 4.0214 -4.7685 C 0 0 0 0 0
0.8850 4.3392 -3.5753 C 0 0 0 0 0
1.3168 3.3241 -2.7189 C 0 0 0 0 0
3.2256 1.6612 -1.1825 C 0 0 0 0 0
4.2895 2.0906 -1.9837 C 0 0 0 0 0
5.3078 2.8854 -1.4532 C 0 0 0 0 0
5.2415 3.3147 -0.1271 C 0 0 0 0 0
4.1415 2.9626 0.6556 C 0 0 0 0 0
3.1433 2.1422 0.1273 C 0 0 0 0 0
2.5553 -0.6693 -2.9837 C 0 0 0 0 0
1.7496 -1.4378 -3.8325 C 0 0 0 0 0
2.2861 -2.4006 -4.6897 C 0 0 0 0 0
3.6580 -2.6491 -4.6887 C 0 0 0 0 0
4.4770 -1.9229 -3.8252 C 0 0 0 0 0
3.9271 -0.9472 -2.9908 C 0 0 0 0 0
1.8066 0.6402 -1.8755 P 0 3 0 0 0
2.4895 -3.0116 -0.7006 C 0 0 0 0 0
1.4692 -3.3726 -1.5868 C 0 0 0 0 0
1.6312 -4.4478 -2.4627 C 0 0 0 0 0
2.8163 -5.1844 -2.4521 C 0 0 0 0 0
3.8158 -4.8684 -1.5308 C 0 0 0 0 0
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1.6930 -2.8219 1.9100 C 0 0 0 0 0
2.4316 -2.9296 3.0942 C 0 0 0 0 0
2.0614 -3.8291 4.0967 C 0 0 0 0 0
0.9548 -4.6600 3.9209 C 0 0 0 0 0
0.2341 -4.5961 2.7283 C 0 0 0 0 0
0.6105 -3.6936 1.7315 C 0 0 0 0 0
3.7082 -0.8006 1.1206 C 0 0 0 0 0
4.9447 -0.9029 0.4774 C 0 0 0 0 0
6.0713 -0.2464 0.9766 C 0 0 0 0 0
5.9780 0.5179 2.1402 C 0 0 0 0 0
4.7485 0.6342 2.7897 C 0 0 0 0 0
3.6218 -0.0078 2.2721 C 0 0 0 0 0
2.1677 -1.6384 0.5153 P 0 3 0 0 0
-0.8050 -0.9240 1.5944 Cl 0 0 0 0 0
-1.2673 1.3055 -0.7138 P 0 3 0 0 0
-1.9600 0.9997 -2.4063 C 0 0 0 0 0
-2.8510 1.8725 -3.0379 C 0 0 0 0 0
-3.3692 1.5738 -4.2997 C 0 0 0 0 0
-3.0491 0.3654 -4.9203 C 0 0 0 0 0
-2.2384 -0.5554 -4.2555 C 0 0 0 0 0
-1.7160 -0.2435 -2.9988 C 0 0 0 0 0
-0.7810 3.0491 -0.3062 C 0 0 0 0 0
-0.1187 3.2408 0.9128 C 0 0 0 0 0
0.2956 4.5106 1.3177 C 0 0 0 0 0
0.0355 5.6176 0.5096 C 0 0 0 0 0
-0.6485 5.4438 -0.6940 C 0 0 0 0 0
-1.0576 4.1696 -1.0938 C 0 0 0 0 0
-2.8463 1.0234 0.2603 C 0 0 0 0 0
-3.5530 -0.1726 0.0865 C 0 0 0 0 0
-4.7370 -0.4120 0.7866 C 0 0 0 0 0
-5.2370 0.5519 1.6631 C 0 0 0 0 0
-4.5463 1.7523 1.8348 C 0 0 0 0 0
-3.3593 1.9856 1.1369 C 0 0 0 0 0
0.3800 0.6415 -4.5854 H 0 0 0 0 0
-0.4429 2.4148 -6.0491 H 0 0 0 0 0
-0.1140 4.8185 -5.4421 H 0 0 0 0 0
1.0451 5.3954 -3.3036 H 0 0 0 0 0
1.8069 3.6360 -1.7841 H 0 0 0 0 0
4.3314 1.8231 -3.0516 H 0 0 0 0 0
6.1490 3.2015 -2.0911 H 0 0 0 0 0
6.0335 3.9578 0.2887 H 0 0 0 0 0
4.0574 3.3374 1.6885 H 0 0 0 0 0
2.2746 1.8922 0.7534 H 0 0 0 0 0
0.6584 -1.3179 -3.8324 H 0 0 0 0 0
1.6220 -2.9883 -5.3441 H 0 0 0 0 0
4.0844 -3.4247 -5.3442 H 0 0 0 0 0
5.5606 -2.1234 -3.7998 H 0 0 0 0 0
4.6167 -0.4073 -2.3293 H 0 0 0 0 0
0.5148 -2.8211 -1.5913 H 0 0 0 0 0
0.8200 -4.7186 -3.1578 H 0 0 0 0 0
2.9459 -6.0336 -3.1421 H 0 0 0 0 0
4.7305 -5.4811 -1.4819 H 0 0 0 0 0
4.4065 -3.6300 0.1274 H 0 0 0 0 0
3.3326 -2.3235 3.2645 H 0 0 0 0 0
2.6540 -3.8952 5.0239 H 0 0 0 0 0
0.6662 -5.3756 4.7074 H 0 0 0 0 0
-0.6272 -5.2652 2.5700 H 0 0 0 0 0
0.0300 -3.6842 0.7953 H 0 0 0 0 0
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7.0365 -0.3324 0.4516 H 0 0 0 0 0
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2.6569 0.1188 2.7908 H 0 0 0 0 0
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-3.4716 0.1205 -5.9078 H 0 0 0 0 0
-2.0239 -1.5340 -4.7144 H 0 0 0 0 0
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0.0849 2.3852 1.5776 H 0 0 0 0 0
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M END</inlineContents>
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The formula for Wilkinsons Catalyst is C54H45ClP3Rh

==An example of the Wilkinson Catalyst reaction:==
The Wilkinson catalyst RhCl(PPh3)3 is known to react with pyridine to lead to the 'reductive coupling of aldehydes'2. The pyridine molecule is able to react well with the catalyst since it is able to exchange its ligands with the catalyst, for example [RhCl(py)(PPh3)2]. When the pyridine reacts with the catalyst, a solution forms and chemists are then able to study the selectivity of the catalyst as to maximise its role as a catalyst.

2.J. Chem. Soc., Dalton Trans., 1994, 2875 - 2880, DOI: 10.1039/DT9940002875

==Structure and Synthesis==
Wilkinson catalyst is a square planar complex which has a molecular formula of RhCl(PPh3)3. It can be prepared by mixing rhodium trichloride and triphenylphosphine in ethanol and refluxing for 2-3 hrs.

RhCl3(H2O)3 + CH3CH2OH + 3 PPh3 -> RhCl(PPh3)3 + CH3CHO + 2 HCl + 3 H2O

[[image:Wilkinson_Catalyst1.JPG]]

[[Image:Wilkinson_Catalyst.GIF|thumb|A scheme showing how the catalyst works]]

Wilkinson catalyst is widely used in a hydrogenation of alkene. Let’s consider in the hydrogenation of propylene (C3H6). At first, the chlorotrisr(triphenylphosphine)rhodium(I) lose a triphenylphosphine group and become a trigonal planar complex. Note the oxidation state of rhodium is still (I). Then Addition of H2 to the central metal atom results in a trigonal bipyramid complex. Now the oxidation state of rhodium has changed to (III). Then propylene will attack the central atom and a transition state which the central atom has 6 coordinates (octahedral complex). The propylene is then very quickly comes off with the 2 hydrogen and reduce to an alkane (propane). The catalyst is back to a trigonal planar complex at this stage and can be used to catalyst the hydrogenation of the next propylene molecule.

The link below contain an animation which show how the H2 and the alkene attach to the metal centre. [|http://www.ncl.ox.ac.uk/quicktime/hydrogenation.html]

==A brief history of the Wilkinson catalyst:==
The catalyst is named after Profesor Sir Geoffrey Wilkinson who won a Nobel Laureate for chemistry. The structure as you can see above is organometallic and 'activates' small molecules therefore the catalyst lowers the activation energies for bond making and bond breaking. Profesor Wilkinson himself was involved heavily in the inorganic field and pioneered the organometallic chemistry age.

http://www.3dchem.com/molecules.asp?ID=35#

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<inlineContents>HEADER CSD ENTRY TPPRHC01
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 19.470 12.689 18.202 90.00 90.00 90.00 P n a 21 4
ATOM 1 Rh1 UNK 0 1 1.227 0.367 4.551 1.00 0.00
ATOM 2 Cl1 UNK 0 1 -0.989 0.921 3.801 1.00 0.00
ATOM 3 P1 UNK 0 1 1.558 2.646 4.651 1.00 0.00
ATOM 4 P2 UNK 0 1 3.355 -0.253 4.745 1.00 0.00
ATOM 5 P3 UNK 0 1 0.300 -1.728 5.018 1.00 0.00
ATOM 6 C1 UNK 0 1 0.481 3.464 5.897 1.00 0.00
ATOM 7 C2 UNK 0 1 0.724 4.784 6.260 1.00 0.00
ATOM 8 C3 UNK 0 1 -0.105 5.416 7.181 1.00 0.00
ATOM 9 C4 UNK 0 1 -1.178 4.733 7.741 1.00 0.00
ATOM 10 C5 UNK 0 1 -1.421 3.401 7.379 1.00 0.00
ATOM 11 C6 UNK 0 1 -0.594 2.771 6.458 1.00 0.00
ATOM 12 C7 UNK 0 1 1.180 3.528 3.093 1.00 0.00
ATOM 13 C8 UNK 0 1 1.279 2.774 1.928 1.00 0.00
ATOM 14 C9 UNK 0 1 1.069 3.375 0.690 1.00 0.00
ATOM 15 C10 UNK 0 1 0.757 4.733 0.617 1.00 0.00
ATOM 16 C11 UNK 0 1 0.658 5.484 1.782 1.00 0.00
ATOM 17 C12 UNK 0 1 0.868 4.885 3.020 1.00 0.00
ATOM 18 C13 UNK 0 1 3.154 3.416 5.129 1.00 0.00
ATOM 19 C14 UNK 0 1 3.913 4.126 4.201 1.00 0.00
ATOM 20 C15 UNK 0 1 5.089 4.753 4.605 1.00 0.00
ATOM 21 C16 UNK 0 1 5.510 4.670 5.923 1.00 0.00
ATOM 22 C17 UNK 0 1 4.751 3.958 6.849 1.00 0.00
ATOM 23 C18 UNK 0 1 3.577 3.331 6.462 1.00 0.00
ATOM 24 C19 UNK 0 1 4.665 0.803 4.004 1.00 0.00
ATOM 25 C20 UNK 0 1 4.517 1.081 2.641 1.00 0.00
ATOM 26 C21 UNK 0 1 5.491 1.807 1.968 1.00 0.00
ATOM 27 C22 UNK 0 1 6.622 2.255 2.657 1.00 0.00
ATOM 28 C23 UNK 0 1 6.776 1.978 4.006 1.00 0.00
ATOM 29 C24 UNK 0 1 5.802 1.252 4.680 1.00 0.00
ATOM 30 C25 UNK 0 1 3.670 -1.769 3.726 1.00 0.00
ATOM 31 C26 UNK 0 1 2.884 -1.902 2.585 1.00 0.00
ATOM 32 C27 UNK 0 1 3.102 -2.957 1.709 1.00 0.00
ATOM 33 C28 UNK 0 1 4.106 -3.888 1.975 1.00 0.00
ATOM 34 C29 UNK 0 1 4.893 -3.755 3.116 1.00 0.00
ATOM 35 C30 UNK 0 1 4.675 -2.690 3.992 1.00 0.00
ATOM 36 C31 UNK 0 1 3.972 -0.558 6.480 1.00 0.00
ATOM 37 C32 UNK 0 1 5.218 -1.104 6.771 1.00 0.00
ATOM 38 C33 UNK 0 1 5.605 -1.320 8.100 1.00 0.00
ATOM 39 C34 UNK 0 1 4.751 -0.964 9.137 1.00 0.00
ATOM 40 C35 UNK 0 1 3.505 -0.406 8.846 1.00 0.00
ATOM 41 C36 UNK 0 1 3.117 -0.203 7.517 1.00 0.00
ATOM 42 C37 UNK 0 1 -1.038 -1.377 6.254 1.00 0.00
ATOM 43 C38 UNK 0 1 -0.738 -0.510 7.303 1.00 0.00
ATOM 44 C39 UNK 0 1 -1.706 -0.212 8.258 1.00 0.00
ATOM 45 C40 UNK 0 1 -2.973 -0.778 8.165 1.00 0.00
ATOM 46 C41 UNK 0 1 -3.275 -1.643 7.119 1.00 0.00
ATOM 47 C42 UNK 0 1 -2.307 -1.943 6.161 1.00 0.00
ATOM 48 C43 UNK 0 1 1.264 -3.073 5.839 1.00 0.00
ATOM 49 C44 UNK 0 1 1.879 -4.060 5.069 1.00 0.00
ATOM 50 C45 UNK 0 1 2.658 -5.035 5.681 1.00 0.00
ATOM 51 C46 UNK 0 1 2.821 -5.031 7.062 1.00 0.00
ATOM 52 C47 UNK 0 1 2.206 -4.048 7.834 1.00 0.00
ATOM 53 C48 UNK 0 1 1.427 -3.069 7.223 1.00 0.00
ATOM 54 C49 UNK 0 1 -0.541 -2.690 3.708 1.00 0.00
ATOM 55 C50 UNK 0 1 -0.641 -2.122 2.439 1.00 0.00
ATOM 56 C51 UNK 0 1 -1.266 -2.817 1.411 1.00 0.00
ATOM 57 C52 UNK 0 1 -1.793 -4.086 1.649 1.00 0.00
ATOM 58 C53 UNK 0 1 -1.694 -4.656 2.918 1.00 0.00
ATOM 59 C54 UNK 0 1 -1.069 -3.959 3.946 1.00 0.00
ATOM 60 H1 UNK 0 1 1.499 5.279 5.861 1.00 0.00
ATOM 61 H2 UNK 0 1 0.078 6.357 7.463 1.00 0.00
ATOM 62 H3 UNK 0 1 -1.772 5.177 8.409 1.00 0.00
ATOM 63 H4 UNK 0 1 -2.181 2.906 7.772 1.00 0.00
ATOM 64 H5 UNK 0 1 -0.759 1.827 6.189 1.00 0.00
ATOM 65 H6 UNK 0 1 1.499 1.802 1.984 1.00 0.00
ATOM 66 H7 UNK 0 1 1.149 2.830 -0.146 1.00 0.00
ATOM 67 H8 UNK 0 1 0.604 5.164 -0.273 1.00 0.00
ATOM 68 H9 UNK 0 1 0.428 6.459 1.729 1.00 0.00
ATOM 69 H10 UNK 0 1 0.798 5.418 3.859 1.00 0.00
ATOM 70 H11 UNK 0 1 3.621 4.200 3.258 1.00 0.00
ATOM 71 H12 UNK 0 1 5.646 5.279 3.968 1.00 0.00
ATOM 72 H13 UNK 0 1 6.347 5.114 6.243 1.00 0.00
ATOM 73 H14 UNK 0 1 5.043 3.870 7.809 1.00 0.00
ATOM 74 H15 UNK 0 1 3.018 2.804 7.117 1.00 0.00
ATOM 75 H16 UNK 0 1 3.699 0.761 2.148 1.00 0.00
ATOM 76 H17 UNK 0 1 5.393 2.005 0.983 1.00 0.00
ATOM 77 H18 UNK 0 1 7.321 2.779 2.166 1.00 0.00
ATOM 78 H19 UNK 0 1 7.593 2.297 4.496 1.00 0.00
ATOM 79 H20 UNK 0 1 5.899 1.053 5.643 1.00 0.00
ATOM 80 H21 UNK 0 1 2.161 -1.231 2.403 1.00 0.00
ATOM 81 H22 UNK 0 1 2.531 -3.058 0.892 1.00 0.00
ATOM 82 H23 UNK 0 1 4.264 -4.644 1.347 1.00 0.00
ATOM 83 H24 UNK 0 1 5.607 -4.428 3.295 1.00 0.00
ATOM 84 H25 UNK 0 1 5.237 -2.601 4.805 1.00 0.00
ATOM 85 H26 UNK 0 1 5.841 -1.358 6.025 1.00 0.00
ATOM 86 H27 UNK 0 1 6.503 -1.713 8.318 1.00 0.00
ATOM 87 H28 UNK 0 1 5.004 -1.104 10.084 1.00 0.00
ATOM 88 H29 UNK 0 1 2.882 -0.152 9.592 1.00 0.00
ATOM 89 H30 UNK 0 1 2.220 0.190 7.317 1.00 0.00
ATOM 90 H31 UNK 0 1 0.175 -0.102 7.372 1.00 0.00
ATOM 91 H32 UNK 0 1 -1.499 0.406 9.010 1.00 0.00
ATOM 92 H33 UNK 0 1 -3.660 -0.571 8.846 1.00 0.00
ATOM 93 H34 UNK 0 1 -4.186 -2.056 7.044 1.00 0.00
ATOM 94 H35 UNK 0 1 -2.531 -2.563 5.406 1.00 0.00
ATOM 95 H36 UNK 0 1 1.772 -4.073 4.077 1.00 0.00
ATOM 96 H37 UNK 0 1 3.115 -5.748 5.151 1.00 0.00
ATOM 97 H38 UNK 0 1 3.368 -5.723 7.536 1.00 0.00
ATOM 98 H39 UNK 0 1 2.317 -4.035 8.846 1.00 0.00
ATOM 99 H40 UNK 0 1 0.974 -2.360 7.772 1.00 0.00
ATOM 100 H41 UNK 0 1 -0.253 -1.218 2.257 1.00 0.00
ATOM 101 H42 UNK 0 1 -1.343 -2.424 0.491 1.00 0.00
ATOM 102 H43 UNK 0 1 -2.239 -4.606 0.910 1.00 0.00
ATOM 103 H44 UNK 0 1 -2.083 -5.570 3.094 1.00 0.00
ATOM 104 H45 UNK 0 1 -0.993 -4.352 4.860 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1
CONECT 3 1 6 12 18
CONECT 4 1 24 30 36
CONECT 5 1 42 48 54
CONECT 6 3 7 11
CONECT 7 6 8 60
CONECT 8 7 9 61
CONECT 9 8 10 62
CONECT 10 9 11 63
CONECT 11 6 10 64
CONECT 12 3 13 17
CONECT 13 12 14 65
CONECT 14 13 15 66
CONECT 15 14 16 67
CONECT 16 15 17 68
CONECT 17 12 16 69
CONECT 18 3 19 23
CONECT 19 18 20 70
CONECT 20 19 21 71
CONECT 21 20 22 72
CONECT 22 21 23 73
CONECT 23 18 22 74
CONECT 24 4 25 29
CONECT 25 24 26 75
CONECT 26 25 27 76
CONECT 27 26 28 77
CONECT 28 27 29 78
CONECT 29 24 28 79
CONECT 30 4 31 35
CONECT 31 30 32 80
CONECT 32 31 33 81
CONECT 33 32 34 82
CONECT 34 33 35 83
CONECT 35 30 34 84
CONECT 36 4 37 41
CONECT 37 36 38 85
CONECT 38 37 39 86
CONECT 39 38 40 87
CONECT 40 39 41 88
CONECT 41 36 40 89
CONECT 42 5 43 47
CONECT 43 42 44 90
CONECT 44 43 45 91
CONECT 45 44 46 92
CONECT 46 45 47 93
CONECT 47 42 46 94
CONECT 48 5 49 53
CONECT 49 48 50 95
CONECT 50 49 51 96
CONECT 51 50 52 97
CONECT 52 51 53 98
CONECT 53 48 52 99
CONECT 54 5 55 59
CONECT 55 54 56 100
CONECT 56 55 57 101
CONECT 57 56 58 102
CONECT 58 57 59 103
CONECT 59 54 58 104
CONECT 60 7
CONECT 61 8
CONECT 62 9
CONECT 63 10
CONECT 64 11
CONECT 65 13
CONECT 66 14
CONECT 67 15
CONECT 68 16
CONECT 69 17
CONECT 70 19
CONECT 71 20
CONECT 72 21
CONECT 73 22
CONECT 74 23
CONECT 75 25
CONECT 76 26
CONECT 77 27
CONECT 78 28
CONECT 79 29
CONECT 80 31
CONECT 81 32
CONECT 82 33
CONECT 83 34
CONECT 84 35
CONECT 85 37
CONECT 86 38
CONECT 87 39
CONECT 88 40
CONECT 89 41
CONECT 90 43
CONECT 91 44
CONECT 92 45
CONECT 93 46
CONECT 94 47
CONECT 95 49
CONECT 96 50
CONECT 97 51
CONECT 98 52
CONECT 99 53
CONECT 100 55
CONECT 101 56
CONECT 102 57
CONECT 103 58
CONECT 104 59
MASTER 0 0 0 0 0 0 0 0 104 0 104 0
END</inlineContents>
</jmolApplet>
</jmol>

The above 3D picture was firstly drawn in the ConQuest programme using 2D tools and then a search for the 3D molecule was made giving the following hit as you see.

==Comparison with other catalysts:==
Two other famous catalysts used in many chemical reactions are Ni and Pd and these comoplexes can be better or worse than the Wilkinson catalyst in some properties. For example, the Wilkinson catalyst is more active and so faster reactions are possible. This is shown by comparing therate constants in the table below as the magnitude of k is largest for the Wilkinson catalyst. Another advantage of this catalyst is that in comparison with the reactant and product phases, the catalyst can either be homogeneous or heterogeneous, whilst the other 2 catalyst are normally in the solid phase.

[[Image:cattable.gif|thumb|centre|500|Comparison of the Wilkinson catalyst with Pd and Ni]]

With THT present (above in the table), the Rh complex will change its coordination by a larger amount but the Pd and Ni catalyst retain its original coordination number. Once again, this is better as a catalyst as the larger surface in the larger coordination sphere is able to act as an bigger active site for the reactants to attach to. Finally, the Rh catalyst shows a great resistance to sulphur poisoning with organic compounds containing S atoms but Pd and Ni do not. The Wilkinson catalyst works well when it is complexed to a γ-Al2O3 surface to catalyse the hydrogenation reaction of olefins.

Ref:

[http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TGM-3Y9RF5P-J&_coverDate=12%2F15%2F1999&_alid=475460761&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=5258&_sort=d&view=c&_acct=C000011279&_version=1&_urlVersion=0&_userid=217827&md5=16c34de59089a2a3e11dc01745af7d7d Journal of Molecular Catalysis A: Chemical Volume 149, Issues 1-2 , 15 December 1999, Pages 147-152]

The Wilkinson catalyst is a well known homogeneous catalyst. The advantages of it being homogeneous rather than heterogeneous is that the catalyst is dissolved in with the reagents and therefore the rate of reaction is likely to be greater. Also the ligands on the catalyst can be 'tuned' as to achieve 'selective reductions'1. However, the separation of the catalyst from the reagents and products will be difficult as they are in the same phase.

1 = from the Organic Synthesis notes of Alan Armstrong.

==Olefin hydrogenation with the Wilkinson catalyst==
Adding to the above reaction scheme done by a collegeaue, the catalyst will react the olefin in the following ways to give transition stages on the way to the product.

[[Image:Stereochemwilk.GIF|thumb|centre|200|Description of image]]

The diagram shows the bond angles and bond lengths in angstroms. The angle of attack from the differing molecules is also shown according to experimental data.

Ref: J. Am. Chem. SOC. 1987, 109, 3455-3456

==References and External Links==

1. [http://www.sciencedirect.com/science/article/B6THD-4KWK10C-1/2/23598dfb1e674011a2e6aaef2ff7a4fe R. Acosta Ortiz, M. Sangermano, R. Bongiovanni, A. E. Garcia Valdez, L. B. Duarte, I. P. Saucedo and A. Priola, ''Progress in Organic Coatings'', 2006, '''57''', 159-164.]

==Properties==
{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Wilkinson's catalyst'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Wilkinson's_catalyst1.png]]
|-
| [[IUPAC nomenclature|Chemical name]]
| ''Chlorotris(triphenylphosphine)- rhodium''
|-
| [[CAS nummber]]
| 14694-95-2
|-
| [[Chemical formula]]
| {{{formula|C54H45ClP3Rh
|-
| [[Molecular mass]]
| {{{mol_mass|925.22 g/mol
|-
| [[Solubility in water]]
| {{{Solubility in water|Insoluble
|-
| [[Melting point]]
| {{{Melting point|245-250 °C
|-
| [[Appearance]]
| {{{Appearance| red solid
|-
| [[Coordination geometry]]
| {{{Coordination geometry| square planar
|}

It:Fullerene

2006-11-23T16:55:19Z

Nkwt05: /* Reaction of fullerene with Grignard reagents */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
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The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

==Reaction of fullerene with Grignard reagents==

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H. Once again the yield is exceptionally high (90-99%). The product formed leads to the discussion of carbon clusters.

[[Image:Grig_rxn_of_fullerene_c70.JPG|centre|800|Grignard reaction of fullerene (C70)]]

The 2 above reactions have been referenced from http://www.iupac.org/publications/pac/2003/pdf/7504x0427.pdf

==Bucky Ferrocene and Rh==

The first transition metal complex with Rh and bucky ferrocene made together was Rh(η5-MeFCp)(CO)2. This is made by the transmetalation reaction of KMeFCp and Rh2Cl2(CO)4 in hexamethylphosphoramide. The final transtition metal complex product is relatively stable against air and mild acid/base conditions. The transition metal Rh now adds an 'extended electronic array' and therefore improving the superconductivity of fullerene. The MeFCp complex can be oxidised and reduced without losing the Rh atom and this is a reason why this type of compound is so useful as a catalyst.

[[Image:Rh_complex_with_fullerene.JPG|centre|500|Rh complexing to fullerene]]

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

It:Fullerene

2006-11-23T16:53:57Z

Nkwt05: /* Bucky Ferrocene and Rh */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
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<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
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ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
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ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
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ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
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ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
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ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
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ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

==Reaction of fullerene with Grignard reagents==

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H. Once again the yield is exceptionally high (90-99%). The product formed leads to the discussion of carbon clusters.

[[Image:Grig_rxn_of_fullerene_c70.JPG|centre|800|Grignard reaction of fullerene (C70)]]

==Bucky Ferrocene and Rh==

The first transition metal complex with Rh and bucky ferrocene made together was Rh(η5-MeFCp)(CO)2. This is made by the transmetalation reaction of KMeFCp and Rh2Cl2(CO)4 in hexamethylphosphoramide. The final transtition metal complex product is relatively stable against air and mild acid/base conditions. The transition metal Rh now adds an 'extended electronic array' and therefore improving the superconductivity of fullerene. The MeFCp complex can be oxidised and reduced without losing the Rh atom and this is a reason why this type of compound is so useful as a catalyst.

[[Image:Rh_complex_with_fullerene.JPG|centre|500|Rh complexing to fullerene]]

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

File:Rh complex with fullerene.JPG

2006-11-23T16:53:25Z

Nkwt05:

It:Fullerene

2006-11-23T16:52:52Z

Nkwt05: /* Reaction of fullerene with Grignard reagents */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

==Reaction of fullerene with Grignard reagents==

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H. Once again the yield is exceptionally high (90-99%). The product formed leads to the discussion of carbon clusters.

[[Image:Grig_rxn_of_fullerene_c70.JPG|centre|800|Grignard reaction of fullerene (C70)]]

==Bucky Ferrocene and Rh==

The first transition metal complex with Rh and bucky ferrocene made together was Rh(η5-MeFCp)(CO)2. This is made by the transmetalation reaction of KMeFCp and Rh2Cl2(CO)4 in hexamethylphosphoramide. The final transtition metal complex product is relatively stable against air and mild acid/base conditions. The transition metal Rh now adds an 'extended electronic array' and therefore improving the superconductivity of fullerene. The MeFCp complex can be oxidised and reduced without losing the Rh atom and this is a reason why this type of compound is so useful as a catalyst.

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

It:Fullerene

2006-11-23T16:45:36Z

Nkwt05: /* Reaction of fullerene with Grignard reagents */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

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ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
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ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
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ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
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ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
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ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
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CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
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The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

==Reaction of fullerene with Grignard reagents==

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H. Once again the yield is exceptionally high (90-99%). The product formed leads to the discussion of carbon clusters.

[[Image:Grig_rxn_of_fullerene_c70.JPG|centre|800|Grignard reaction of fullerene (C70)]]

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

It:Fullerene

2006-11-23T16:44:49Z

Nkwt05: /* Reaction of fullerene with Grignard reagents */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

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<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
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The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

=Reaction of fullerene with Grignard reagents=

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H. Once again the yield is exceptionally high (90-99%). The product formed leads to the discussion of carbon clusters.

[[Image:Grig_rxn_of_fullerene_c70.JPG|centre|800|Grignard reaction of fullerene (C70)]]

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

File:Grig rxn of fullerene c70.JPG

2006-11-23T16:43:21Z

Nkwt05:

It:Fullerene

2006-11-23T16:40:34Z

Nkwt05: /* Reaction of fullerene with Grignard reagents */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
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<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

=Reaction of fullerene with Grignard reagents=

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

It:Fullerene

2006-11-23T16:38:33Z

Nkwt05: /* Reactions */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

[[Image:Fullerene_reactions.JPG|centre|800|One reaction of fullerene]]

The above reactions show the synthesis of disubstituted 1,2-dihydro[60]fullerenes. The use of this reaction is to improve the solubility and processability of C60 fullerene. First of all, the fullerene is converted into a stable carbanion of C60 2-(1-octynyl)-1,2-dihydro[60]fulleren-1-ide ion. Then the carbanion will react with the carbon electrophiles given from vinyl ethers.

{{doi-inline|10.1021/jo961320x|fullerene reactions}}

=Reaction of fullerene with Grignard reagents=

The specific reaction that I will be dealing with is C60 fullerene reacting with a phenyl grignard reagent in the presence of Cu(I) salt to give an addition product C60Ph5H. The yield for this reaction is very high (98%). From the diagram below, you can see that adduct has five R groups attached to a protonated cyclopentadienyl anion, implying there is nucleophilic attack of just one face.

[[Image:Grig_rxn_of_fullerene.JPG|centre|800|Grignard reaction of fullerene]]

C70 can also react with the grignard reagent in the same way but instead of a penta-adduct product, we have a tri-adduct product C70R3H

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

2006-11-23T15:40:09Z

Nkwt05: /* Reactions */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. Fuller was not a chemist but an architect and was renowned for the geodesic dome. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:C60f.jpg|thumb|right|500|The C60 structure for buckminsterfullerene]]
The following blue and yellow image was taken from http://www.chem.sunysb.edu/msl/fullerene.html.

[[Image:550px-Fullerene_c540.png|thumb|right|200|A large icosahedral cage for C540]]
The icosahedral cage picture was taken from the fullerene wiki page.

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Reactions==

Fullerene_reactions.JPG (

==Uses of fullerenes:==

With the entrance of fullerenes into chemistry, modern fullerene chemistry is getting more and more promising in terms of modern uses. The Buckminster fullerene unit can be used as 'magnetic nanoparticles' that pave the way for the magnetic storage of high density media. Also, the fullerene structure can be placed into ferrous materials such as iron and cobalt to give thin films with high magnetic properties - this may extensively be used in computers.

Another odd structure is the ferrocene one and fullerene can be made to resemble the ferrocene structure with a Rh centre. This leads to the super conducting properties of fullerene.

Of late, carbon nanotubes are 'new and fashionable' materials with a hollow cylinder structure as shown below. The structure resemblance is that of graphite and as you can see, hexagonal C rings form the wall structure. We can have two types of C nanotubes:

1, single-walled nanotubes

2, multi-walled nanotubes

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|centre|500|A large icosahedral cage of C540]]

The interest in C nanotubes is that they are both rigid and flexible at the same time. For example, in comparison to the stress strength of steel, the nanotube is a hundred times stronger than steel. The main use of the nanotubes is for its superconductivity properties. The conductivity refers to both thermal and electrical. Some major uses of the C nanotube are as a field emitter and as a semiconducting molecule.

The rapid research developments in the nanotube field has now asked questions about whether silicon components for computers will still be around in a few decades time, or if the nanotube materials will replace this 'old' material.

==References==

http://www.azonano.com/details.asp?ArticleID=1143

{{doi-inline|10.1021/jo961320x|eletrophile fullerene}}

2006-11-20T15:51:33Z

Nkwt05: /* Structure: */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:550px-Fullerene_c540.png|thumb|left|500|A large icosahedral cage for C540]]
[[Image:550px-Fullerene_c540.png|thumb|left|500|A large icosahedral cage for C540]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Uses of fullerenes:==

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|left|500|A large icosahedral cage of C540]]

File:C60f.jpg

2006-11-20T15:50:41Z

Nkwt05:

It:Fullerene

2006-11-20T15:49:59Z

Nkwt05: /* Fullerene: A brief history */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

Buckminster fullerene is the simplest fullerene with the the formula C60. The odd structure consists of hexagons and pentagons. This fullerene is the most abundant and can be found in soot (ie the carbon residue after combustion).

References:
http://en.wikipedia.org/wiki/Fullerene

==Structure:==

[[Image:550px-Fullerene_c540.png|thumb|left|500|A large icosahedral cage for C540]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Uses of fullerenes:==

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|left|500|A large icosahedral cage of C540]]

It:Fullerene

2006-11-20T15:42:36Z

Nkwt05: /* Fullerene: A brief history */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

==Structure:==

[[Image:550px-Fullerene_c540.png|thumb|left|500|A large icosahedral cage for C540]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

==Uses of fullerenes:==

[[Image:Kohlenstoffnanoroehre_Animation.gif |thumb|left|500|A large icosahedral cage of C540]]

File:Kohlenstoffnanoroehre Animation.gif

2006-11-20T15:39:40Z

Nkwt05:

It:Fullerene

2006-11-20T15:37:00Z

Nkwt05: /* Fullerene: A brief history */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

[[Image:Kohlenstoffnanoroehre_Animation.mol|thumb|left|500|3D carbon nanotube]]

[[Image:550px-Fullerene_c540.png|thumb|left|500|A large icosahedral cage for C540]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

It:Fullerene

2006-11-20T15:31:37Z

Nkwt05: /* Fullerene: A brief history */

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

[[Image:Kohlenstoffnanoroehre_Animation.mol]]

The above diagram shows

[[Image:550px-Fullerene_c540.png]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

The diagram above shows fullerene C60 in the centre reacting with the neighbouring reactants. The following structures were taken from Conquest by saving it as a PDB file and then copying and pasting the codes into the Wiki page.

It:Fullerene

2006-11-20T15:28:29Z

Nkwt05:

==Fullerene: A brief history==

Fullerene is a carbon allotrope that was recently discovered in 1985 by Buckminster Fuller of whom, the molecule is named after. The interesting shapes of fullerene are in the form of spheres, tubes and ellipsoids that give it a variety of uses.
''Buckyballs'' = spherical in the form of C60 and are analogous to the football picture.
''Buckytubes'' = cylindrical

[[Image:Kohlenstoffnanoroehre_Animation.mol]]

The above diagram shows

[[Image:550px-Fullerene_c540.png]]

<jmol>
<jmolApplet>
<size>500</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY ABOSOZ
COMPND UNNAMED
AUTHOR GENERATED BY CONQUEST
CRYST1 14.401 17.276 14.170 104.72 104.13 87.45 P -1 2
ATOM 1 Ag1 UNK 0 1 11.321 -8.386 6.199 1.00 0.00
ATOM 2 N1 UNK 0 1 10.067 -9.889 6.922 1.00 0.00
ATOM 3 N2 UNK 0 1 12.505 -6.796 5.536 1.00 0.00
ATOM 4 N3 UNK 0 1 10.054 -8.135 4.556 1.00 0.00
ATOM 5 N4 UNK 0 1 12.524 -8.564 7.895 1.00 0.00
ATOM 6 C1 UNK 0 1 7.725 -7.487 12.702 1.00 0.00
ATOM 7 C2 UNK 0 1 11.363 -10.464 8.927 1.00 0.00
ATOM 8 C3 UNK 0 1 12.480 -9.732 12.230 1.00 0.00
ATOM 9 C4 UNK 0 1 8.632 -4.157 6.989 1.00 0.00
ATOM 10 C5 UNK 0 1 10.287 -10.627 8.046 1.00 0.00
ATOM 11 C6 UNK 0 1 8.881 -10.296 6.363 1.00 0.00
ATOM 12 C7 UNK 0 1 12.366 -9.493 8.888 1.00 0.00
ATOM 13 C8 UNK 0 1 6.128 -5.897 13.365 1.00 0.00
ATOM 14 C9 UNK 0 1 4.441 -6.701 11.236 1.00 0.00
ATOM 15 C10 UNK 0 1 13.373 -9.260 9.908 1.00 0.00
ATOM 16 C11 UNK 0 1 6.998 -12.039 6.953 1.00 0.00
ATOM 17 C12 UNK 0 1 8.720 -1.773 9.782 1.00 0.00
ATOM 18 C13 UNK 0 1 11.342 -6.379 3.416 1.00 0.00
ATOM 19 C14 UNK 0 1 5.137 -5.037 12.905 1.00 0.00
ATOM 20 C15 UNK 0 1 1.453 -1.733 9.741 1.00 0.00
ATOM 21 C16 UNK 0 1 14.008 -6.656 7.473 1.00 0.00
ATOM 22 C17 UNK 0 1 9.163 -7.402 2.582 1.00 0.00
ATOM 23 C18 UNK 0 1 8.315 -11.355 7.190 1.00 0.00
ATOM 24 C19 UNK 0 1 6.332 -3.703 7.055 1.00 0.00
ATOM 25 C20 UNK 0 1 9.190 -11.571 8.219 1.00 0.00
ATOM 26 C21 UNK 0 1 7.411 -8.545 10.507 1.00 0.00
ATOM 27 C22 UNK 0 1 12.363 -6.132 4.346 1.00 0.00
ATOM 28 C23 UNK 0 1 13.506 -10.083 11.167 1.00 0.00
ATOM 29 C24 UNK 0 1 6.055 -7.640 8.192 1.00 0.00
ATOM 30 C25 UNK 0 1 6.601 2.335 10.800 1.00 0.00
ATOM 31 C26 UNK 0 1 9.109 -6.722 1.242 1.00 0.00
ATOM 32 C27 UNK 0 1 5.353 -7.825 9.384 1.00 0.00
ATOM 33 C28 UNK 0 1 9.084 -12.558 9.348 1.00 0.00
ATOM 34 C29 UNK 0 1 4.560 -3.435 8.737 1.00 0.00
ATOM 35 C30 UNK 0 1 14.078 -5.119 5.440 1.00 0.00
ATOM 36 C31 UNK 0 1 8.098 -6.941 7.283 1.00 0.00
ATOM 37 C32 UNK 0 1 10.325 -3.357 9.113 1.00 0.00
ATOM 38 C33 UNK 0 1 6.387 1.936 12.106 1.00 0.00
ATOM 39 C34 UNK 0 1 10.267 -7.276 3.513 1.00 0.00
ATOM 40 C35 UNK 0 1 8.266 -8.142 11.612 1.00 0.00
ATOM 41 C36 UNK 0 1 0.977 -0.666 9.020 1.00 0.00
ATOM 42 C37 UNK 0 1 8.868 -8.779 4.352 1.00 0.00
ATOM 43 C38 UNK 0 1 5.898 -11.545 7.883 1.00 0.00
ATOM 44 C39 UNK 0 1 -0.480 -3.031 9.108 1.00 0.00
ATOM 45 C40 UNK 0 1 13.377 -5.093 4.266 1.00 0.00
ATOM 46 C41 UNK 0 1 8.626 -11.933 10.672 1.00 0.00
ATOM 47 C42 UNK 0 1 15.205 -7.489 10.261 1.00 0.00
ATOM 48 C43 UNK 0 1 5.248 1.220 12.437 1.00 0.00
ATOM 49 C44 UNK 0 1 10.493 -4.604 8.533 1.00 0.00
ATOM 50 C45 UNK 0 1 6.974 -8.739 2.541 1.00 0.00
ATOM 51 C46 UNK 0 1 8.331 -9.763 5.197 1.00 0.00
ATOM 52 C47 UNK 0 1 5.473 -7.592 11.708 1.00 0.00
ATOM 53 C48 UNK 0 1 7.325 -4.689 6.656 1.00 0.00
ATOM 54 C49 UNK 0 1 6.047 -8.288 10.565 1.00 0.00
ATOM 55 C50 UNK 0 1 13.537 -6.221 6.229 1.00 0.00
ATOM 56 C51 UNK 0 1 8.137 -8.372 9.279 1.00 0.00
ATOM 57 C52 UNK 0 1 8.286 -8.303 3.107 1.00 0.00
ATOM 58 C53 UNK 0 1 4.848 -5.546 7.759 1.00 0.00
ATOM 59 C54 UNK 0 1 9.282 -2.463 8.635 1.00 0.00
ATOM 60 C55 UNK 0 1 13.588 -4.182 3.082 1.00 0.00
ATOM 61 C56 UNK 0 1 10.213 -6.623 11.598 1.00 0.00
ATOM 62 C57 UNK 0 1 15.179 -4.199 5.878 1.00 0.00
ATOM 63 C58 UNK 0 1 8.455 -2.855 7.590 1.00 0.00
ATOM 64 C59 UNK 0 1 9.359 -6.435 7.591 1.00 0.00
ATOM 65 C60 UNK 0 1 7.483 -7.924 8.138 1.00 0.00
ATOM 66 C61 UNK 0 1 5.236 -2.354 9.299 1.00 0.00
ATOM 67 C62 UNK 0 1 -0.214 -0.777 8.315 1.00 0.00
ATOM 68 C63 UNK 0 1 14.098 -8.173 9.521 1.00 0.00
ATOM 69 C64 UNK 0 1 10.836 -5.630 10.738 1.00 0.00
ATOM 70 C65 UNK 0 1 13.560 -7.737 8.235 1.00 0.00
ATOM 71 C66 UNK 0 1 9.940 -7.458 0.189 1.00 0.00
ATOM 72 C67 UNK 0 1 4.276 -5.449 11.811 1.00 0.00
ATOM 73 C68 UNK 0 1 3.935 -4.426 9.610 1.00 0.00
ATOM 74 C69 UNK 0 1 9.455 -7.840 9.602 1.00 0.00
ATOM 75 C70 UNK 0 1 6.312 -7.201 12.750 1.00 0.00
ATOM 76 C71 UNK 0 1 8.971 -3.577 12.980 1.00 0.00
ATOM 77 C72 UNK 0 1 7.357 -1.502 9.833 1.00 0.00
ATOM 78 C73 UNK 0 1 10.408 -3.216 10.555 1.00 0.00
ATOM 79 C74 UNK 0 1 6.625 -1.688 11.072 1.00 0.00
ATOM 80 C75 UNK 0 1 9.538 -7.704 11.036 1.00 0.00
ATOM 81 C76 UNK 0 1 7.038 -2.571 7.640 1.00 0.00
ATOM 82 C77 UNK 0 1 8.428 -6.354 13.290 1.00 0.00
ATOM 83 C78 UNK 0 1 10.054 -6.895 8.779 1.00 0.00
ATOM 84 C79 UNK 0 1 4.366 -6.842 9.795 1.00 0.00
ATOM 85 C80 UNK 0 1 5.406 -3.618 12.750 1.00 0.00
ATOM 86 C81 UNK 0 1 7.037 -10.057 1.780 1.00 0.00
ATOM 87 C82 UNK 0 1 9.645 -5.935 12.739 1.00 0.00
ATOM 88 C83 UNK 0 1 5.806 -6.482 7.362 1.00 0.00
ATOM 89 C84 UNK 0 1 4.122 -5.726 8.987 1.00 0.00
ATOM 90 C85 UNK 0 1 8.710 -2.408 12.159 1.00 0.00
ATOM 91 C86 UNK 0 1 14.712 -6.433 11.232 1.00 0.00
ATOM 92 C87 UNK 0 1 7.072 -6.048 6.798 1.00 0.00
ATOM 93 C88 UNK 0 1 9.413 -2.236 10.967 1.00 0.00
ATOM 94 C89 UNK 0 1 4.014 -4.291 10.987 1.00 0.00
ATOM 95 C90 UNK 0 1 4.531 1.319 10.162 1.00 0.00
ATOM 96 C91 UNK 0 1 16.568 -4.642 5.476 1.00 0.00
ATOM 97 C92 UNK 0 1 10.656 -4.333 11.349 1.00 0.00
ATOM 98 C93 UNK 0 1 7.705 -4.014 13.545 1.00 0.00
ATOM 99 C94 UNK 0 1 9.623 -5.016 7.444 1.00 0.00
ATOM 100 C95 UNK 0 1 6.666 -3.123 13.070 1.00 0.00
ATOM 101 C96 UNK 0 1 -0.945 -1.952 8.367 1.00 0.00
ATOM 102 C97 UNK 0 1 7.295 -2.138 12.212 1.00 0.00
ATOM 103 C98 UNK 0 1 6.499 -1.912 8.738 1.00 0.00
ATOM 104 C99 UNK 0 1 5.318 -2.211 10.740 1.00 0.00
ATOM 105 C10 UNK 0 1 14.445 -4.835 2.007 1.00 0.00
ATOM 106 C10 UNK 0 1 0.740 -2.926 9.781 1.00 0.00
ATOM 107 C10 UNK 0 1 9.913 -4.523 12.591 1.00 0.00
ATOM 108 C10 UNK 0 1 7.445 -5.375 13.689 1.00 0.00
ATOM 109 C10 UNK 0 1 5.668 2.026 9.831 1.00 0.00
ATOM 110 C10 UNK 0 1 5.121 -4.123 7.601 1.00 0.00
ATOM 111 C10 UNK 0 1 10.760 -5.767 9.362 1.00 0.00
ATOM 112 C10 UNK 0 1 4.713 -3.156 11.560 1.00 0.00
ATOM 113 C10 UNK 0 1 4.328 0.914 11.465 1.00 0.00
ATOM 114 H1 UNK 0 1 2.285 -1.667 10.224 1.00 0.00
ATOM 115 H2 UNK 0 1 7.389 2.828 10.565 1.00 0.00
ATOM 116 H3 UNK 0 1 7.040 2.141 12.786 1.00 0.00
ATOM 117 H4 UNK 0 1 1.464 0.161 9.005 1.00 0.00
ATOM 118 H5 UNK 0 1 -0.976 -3.846 9.149 1.00 0.00
ATOM 119 H6 UNK 0 1 5.109 0.952 13.351 1.00 0.00
ATOM 120 H7 UNK 0 1 -0.538 -0.031 7.795 1.00 0.00
ATOM 121 H8 UNK 0 1 3.883 1.107 9.489 1.00 0.00
ATOM 122 H9 UNK 0 1 -1.772 -2.026 7.887 1.00 0.00
ATOM 123 H10 UNK 0 1 1.071 -3.677 10.277 1.00 0.00
ATOM 124 H11 UNK 0 1 5.829 2.288 8.916 1.00 0.00
ATOM 125 H12 UNK 0 1 3.539 0.413 11.700 1.00 0.00
ATOM 126 H13 UNK 0 1 11.416 -11.093 9.637 1.00 0.00
ATOM 127 H14 UNK 0 1 11.399 -5.882 2.604 1.00 0.00
ATOM 128 H15 UNK 0 1 14.726 -6.149 7.840 1.00 0.00
ATOM 129 H16 UNK 0 1 7.476 -10.107 4.942 1.00 0.00
ATOM 130 H17 UNK 0 1 6.730 -11.878 6.055 1.00 0.00
ATOM 131 H18 UNK 0 1 7.111 -12.971 7.088 1.00 0.00
ATOM 132 H19 UNK 0 1 14.374 -9.943 11.531 1.00 0.00
ATOM 133 H20 UNK 0 1 13.404 -11.001 10.943 1.00 0.00
ATOM 134 H21 UNK 0 1 8.206 -6.688 0.952 1.00 0.00
ATOM 135 H22 UNK 0 1 9.445 -5.838 1.335 1.00 0.00
ATOM 136 H23 UNK 0 1 8.461 -13.232 9.104 1.00 0.00
ATOM 137 H24 UNK 0 1 9.939 -12.952 9.483 1.00 0.00
ATOM 138 H25 UNK 0 1 15.692 -8.143 10.750 1.00 0.00
ATOM 139 H26 UNK 0 1 15.780 -7.073 9.629 1.00 0.00
ATOM 140 H27 UNK 0 1 6.356 -8.838 3.255 1.00 0.00
ATOM 141 H28 UNK 0 1 6.665 -8.067 1.946 1.00 0.00
ATOM 142 H29 UNK 0 1 12.740 -3.964 2.708 1.00 0.00
ATOM 143 H30 UNK 0 1 14.015 -3.387 3.377 1.00 0.00
ATOM 144 H31 UNK 0 1 15.020 -3.346 5.496 1.00 0.00
ATOM 145 H32 UNK 0 1 15.152 -4.134 6.825 1.00 0.00
ATOM 146 H33 UNK 0 1 6.157 -11.690 8.784 1.00 0.00
ATOM 147 H34 UNK 0 1 5.757 -10.615 7.739 1.00 0.00
ATOM 148 H35 UNK 0 1 5.095 -12.017 7.702 1.00 0.00
ATOM 149 H36 UNK 0 1 8.593 -12.604 11.344 1.00 0.00
ATOM 150 H37 UNK 0 1 9.241 -11.256 10.931 1.00 0.00
ATOM 151 H38 UNK 0 1 7.765 -11.552 10.560 1.00 0.00
ATOM 152 H39 UNK 0 1 9.602 -8.336 0.080 1.00 0.00
ATOM 153 H40 UNK 0 1 9.882 -6.990 -0.637 1.00 0.00
ATOM 154 H41 UNK 0 1 10.845 -7.493 0.471 1.00 0.00
ATOM 155 H42 UNK 0 1 6.177 -10.271 1.441 1.00 0.00
ATOM 156 H43 UNK 0 1 7.652 -9.977 1.057 1.00 0.00
ATOM 157 H44 UNK 0 1 7.330 -10.747 2.364 1.00 0.00
ATOM 158 H45 UNK 0 1 15.454 -6.044 11.683 1.00 0.00
ATOM 159 H46 UNK 0 1 14.244 -5.757 10.754 1.00 0.00
ATOM 160 H47 UNK 0 1 14.129 -6.832 11.866 1.00 0.00
ATOM 161 H48 UNK 0 1 16.751 -5.494 5.859 1.00 0.00
ATOM 162 H49 UNK 0 1 16.622 -4.700 4.533 1.00 0.00
ATOM 163 H50 UNK 0 1 17.203 -4.010 5.794 1.00 0.00
ATOM 164 H51 UNK 0 1 14.016 -5.620 1.692 1.00 0.00
ATOM 165 H52 UNK 0 1 14.566 -4.227 1.286 1.00 0.00
ATOM 166 H53 UNK 0 1 15.291 -5.061 2.374 1.00 0.00
ATOM 167 H54 UNK 0 1 12.580 -8.818 12.484 1.00 0.00
ATOM 168 H55 UNK 0 1 11.602 -9.862 11.885 1.00 0.00
ATOM 169 H56 UNK 0 1 12.601 -10.283 12.994 1.00 0.00
CONECT 1 2 3 4 5
CONECT 2 1 10 11
CONECT 3 1 27 55
CONECT 4 1 39 42
CONECT 5 1 12 70
CONECT 6 40 75 82
CONECT 7 10 12 126
CONECT 8 28 167 168 169
CONECT 9 53 63 99
CONECT 10 2 7 25
CONECT 11 2 23 51
CONECT 12 5 7 15
CONECT 13 19 75 108
CONECT 14 52 72 84
CONECT 15 12 28 68
CONECT 16 23 43 130 131
CONECT 17 59 77 93
CONECT 18 27 39 127
CONECT 19 13 72 85
CONECT 20 41 106 114
CONECT 21 55 70 128
CONECT 22 31 39 57
CONECT 23 11 16 25
CONECT 24 53 81 110
CONECT 25 10 23 33
CONECT 26 40 54 56
CONECT 27 3 18 45
CONECT 28 8 15 132 133
CONECT 29 32 65 88
CONECT 30 38 109 115
CONECT 31 22 71 134 135
CONECT 32 29 54 84
CONECT 33 25 46 136 137
CONECT 34 66 73 110
CONECT 35 45 55 62
CONECT 36 64 65 92
CONECT 37 49 59 78
CONECT 38 30 48 116
CONECT 39 4 18 22
CONECT 40 6 26 80
CONECT 41 20 67 117
CONECT 42 4 51 57
CONECT 43 16 146 147 148
CONECT 44 101 106 118
CONECT 45 27 35 60
CONECT 46 33 149 150 151
CONECT 47 68 91 138 139
CONECT 48 38 113 119
CONECT 49 37 99 111
CONECT 50 57 86 140 141
CONECT 51 11 42 129
CONECT 52 14 54 75
CONECT 53 9 24 92
CONECT 54 26 32 52
CONECT 55 3 21 35
CONECT 56 26 65 74
CONECT 57 22 42 50
CONECT 58 88 89 110
CONECT 59 17 37 63
CONECT 60 45 105 142 143
CONECT 61 69 80 87
CONECT 62 35 96 144 145
CONECT 63 9 59 81
CONECT 64 36 83 99
CONECT 65 29 36 56
CONECT 66 34 103 104
CONECT 67 41 101 120
CONECT 68 15 47 70
CONECT 69 61 97 111
CONECT 70 5 21 68
CONECT 71 31 152 153 154
CONECT 72 14 19 94
CONECT 73 34 89 94
CONECT 74 56 80 83
CONECT 75 6 13 52
CONECT 76 90 98 107
CONECT 77 17 79 103
CONECT 78 37 93 97
CONECT 79 77 102 104
CONECT 80 40 61 74
CONECT 81 24 63 103
CONECT 82 6 87 108
CONECT 83 64 74 111
CONECT 84 14 32 89
CONECT 85 19 100 112
CONECT 86 50 155 156 157
CONECT 87 61 82 107
CONECT 88 29 58 92
CONECT 89 58 73 84
CONECT 90 76 93 102
CONECT 91 47 158 159 160
CONECT 92 36 53 88
CONECT 93 17 78 90
CONECT 94 72 73 112
CONECT 95 109 113 121
CONECT 96 62 161 162 163
CONECT 97 69 78 107
CONECT 98 76 100 108
CONECT 99 9 49 64
CONECT 100 85 98 102
CONECT 101 44 67 122
CONECT 102 79 90 100
CONECT 103 66 77 81
CONECT 104 66 79 112
CONECT 105 60 164 165 166
CONECT 106 20 44 123
CONECT 107 76 87 97
CONECT 108 13 82 98
CONECT 109 30 95 124
CONECT 110 24 34 58
CONECT 111 49 69 83
CONECT 112 85 94 104
CONECT 113 48 95 125
CONECT 114 20
CONECT 115 30
CONECT 116 38
CONECT 117 41
CONECT 118 44
CONECT 119 48
CONECT 120 67
CONECT 121 95
CONECT 122 101
CONECT 123 106
CONECT 124 109
CONECT 125 113
CONECT 126 7
CONECT 127 18
CONECT 128 21
CONECT 129 51
CONECT 130 16
CONECT 131 16
CONECT 132 28
CONECT 133 28
CONECT 134 31
CONECT 135 31
CONECT 136 33
CONECT 137 33
CONECT 138 47
CONECT 139 47
CONECT 140 50
CONECT 141 50
CONECT 142 60
CONECT 143 60
CONECT 144 62
CONECT 145 62
CONECT 146 43
CONECT 147 43
CONECT 148 43
CONECT 149 46
CONECT 150 46
CONECT 151 46
CONECT 152 71
CONECT 153 71
CONECT 154 71
CONECT 155 86
CONECT 156 86
CONECT 157 86
CONECT 158 91
CONECT 159 91
CONECT 160 91
CONECT 161 96
CONECT 162 96
CONECT 163 96
CONECT 164 105
CONECT 165 105
CONECT 166 105
CONECT 167 8
CONECT 168 8
CONECT 169 8
MASTER 0 0 0 0 0 0 0 0 169 0 169 0
END</inlineContents>
</jmolApplet>
</jmol>

File:Fullerene.pdb

2006-11-20T15:17:51Z

Nkwt05:

It:Fullerene

2006-11-20T15:05:42Z

Nkwt05: /* Fullerene: A brief history */

File:550px-Fullerene c540.png

2006-11-20T15:04:27Z

Nkwt05:

It:Fullerene

2006-11-20T15:03:27Z

Nkwt05: /* Fullerene: A brief history */