ChemWiki - User contributions [en]

It:Vitamin C

2006-12-08T15:42:22Z

Smbc05: /* Brief description */

==Introduction==
The earliest story about Vitamin C happened in the seventheenth century. James Lind who was a ships surgeon in the British Royal Navy attempted to give scientific basis for the cause of scurvy. His test was conducted at sea in May 1747 and involved two groups of men. One group was provded with lemon juice in addition to their normal ration while the other was not. The results of the tests conclusively showed that lemons (in fact, the vitamin) prevented the disease.

Vitamin C (ascorbic acid) which is the most famous in all vitamins was the first vitamin to be discovered (1928), the first to be structurally characterized (1933), and the first to be synthesized in the laboratory (1933). It is essential in wound healing and in the formation of collagen, a protein important in the formation of healthy skin, tendos, bones, and supportive tissues. However, humans do not have the ability to make our own vitamin C and therefore the only way by which we can obtain vitamin C is through our diet.
{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Ascorbic acid'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:vitamin_C.gif]]
|-
|3D structure
|<jmol>
<jmolApplet>
<size>325</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 XICKAV
ATOM 1 C1 MOL 1 15.003 13.124 0.024 1.00 0.00
ATOM 2 C2 MOL 1 16.256 12.216 0.048 1.00 0.00
ATOM 3 O3 MOL 1 14.696 13.485 -1.323 1.00 0.00
ATOM 4 C4 MOL 1 13.783 12.404 0.645 1.00 0.00
ATOM 5 O5 MOL 1 17.367 12.914 -0.520 1.00 0.00
ATOM 6 C6 MOL 1 13.369 11.138 -0.081 1.00 0.00
ATOM 7 O7 MOL 1 12.558 13.256 0.647 1.00 0.00
ATOM 8 O8 MOL 1 14.203 10.059 -0.386 1.00 0.00
ATOM 9 C9 MOL 1 12.090 11.182 -0.361 1.00 0.00
ATOM 10 C10 MOL 1 11.563 12.425 0.083 1.00 0.00
ATOM 11 O11 MOL 1 11.368 10.181 -0.999 1.00 0.00
ATOM 12 O12 MOL 1 10.382 12.761 -0.052 1.00 0.00
ATOM 13 H13 MOL 1 14.048 12.129 1.672 1.00 0.00
ATOM 14 H27 MOL 1 15.201 13.943 0.563 1.00 0.00
ATOM 15 H29 MOL 1 16.467 11.966 0.993 1.00 0.00
ATOM 16 H31 MOL 1 16.076 11.388 -0.483 1.00 0.00
ATOM 17 H33 MOL 1 13.887 14.072 -1.336 1.00 0.00
ATOM 18 H35 MOL 1 18.175 12.325 -0.503 1.00 0.00
ATOM 19 H37 MOL 1 13.679 9.357 -0.867 1.00 0.00
ATOM 20 H39 MOL 1 10.413 10.464 -1.090 1.00 0.00
END</inlineContents>
</jmolApplet>
</jmol>
|-
| [[IUPAC nomenclature|Chemical name]]
| '2-oxo-L-threo-hexono-1,4-lactone-2,3-enediol
or ( R )-3,4-dihydroxy-5-((S)-1,2-dihydoxyethyl)furan-2(5H)-one
'
|-
| [[CAS nummber]]
| 50-81-7
|-
| [[Chemical formula]]
| {{{formula|C<sub>6</sub>H<sub>8</sub>O<sub>6</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|176.13 g/mol
|-
| [[Simplified molecular input line entry specification|SMILES]]
| {{{SMILES|OC1=C(C(O[C@@H]1[C@H](CO)O)=O)O
|-
| [[Simplified molecular input line entry specification|Density]]
| {{{Density| 1.65
|-
| [[Melting point]]
| 190 -192 ºC(decomposes)
|}

===Brief description===
Vitamin C is an ascorbic acid which is only weakly acidic. The asorbic acid compound shows [http://en.wikipedia.org/wiki/Optical_isomerism optical isomerisim] producing two enantiomers of which only the L- enantiomer shows biological activity, its mirror image (the D- emantiomer) shows none . Vitamin C for commercial use is usually a mix of ascorbic acid , sodium ascorbate and sometimes various other ascorbates, sometimes they contain both the L and the D-enantiomer of the acid as it is harmless.

==Use of vitamin C==

• Antiscorbutic properties

-It prevents the onset of scurvy, a bleeding disease affecting those with a deficiency of fresh vegetables and citrus fruits in their diet.

• Reductant in photographic developer solutions and as a preservative.
• Ascorbic acid and its sodium, potassium, and calcium salts are commonly used as antioxidant food additives.

Other possible uses of vitamin C (lacking scientific proofs)

• Prevent the common cold

• Prevent the cure infertility

• Inhibit the development of gastric and cancers.

==IR spectrum of Vitamin C==
[[Image:IR_of_Vc.gif]]

==Acidity of Vitamin C==
[[Image:acidity.gif]]

==Tautomerism==

Ascorbic acid can also interchange to two unstable diketone tautomers, 1,2-diketone and 1,3-diketone.

[[Image:interchange.gif]]

==Synthesis==
The Hoffmann-La Roche Company synthesizes ascorbic acid from glucose through the 5-step rout shown below:

[[Image:synthesisvc.gif]]

==Reference==
Orangic Chemistry by John Mcmurry

http://en.wikipedia.org/wiki/Vitamin_C

http://www.beta-glucan-info.com/vitaminchistory.htm

IR diagram from
http://www.chemgapedia.de/vsengine/vlu/vsc/de/ch/3/anc/vitamin_c/strukturaufklaerung.vlu/Page/vsc/de/ch/3/anc/vitamin_c/3_strukturaufkl/aufgabe_ir/aufgstrukir_m87te0102.vscml.html

It:Vitamin C

2006-12-08T15:39:39Z

Smbc05: /* Introduction */

==Introduction==
The earliest story about Vitamin C happened in the seventheenth century. James Lind who was a ships surgeon in the British Royal Navy attempted to give scientific basis for the cause of scurvy. His test was conducted at sea in May 1747 and involved two groups of men. One group was provded with lemon juice in addition to their normal ration while the other was not. The results of the tests conclusively showed that lemons (in fact, the vitamin) prevented the disease.

Vitamin C (ascorbic acid) which is the most famous in all vitamins was the first vitamin to be discovered (1928), the first to be structurally characterized (1933), and the first to be synthesized in the laboratory (1933). It is essential in wound healing and in the formation of collagen, a protein important in the formation of healthy skin, tendos, bones, and supportive tissues. However, humans do not have the ability to make our own vitamin C and therefore the only way by which we can obtain vitamin C is through our diet.
{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Ascorbic acid'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:vitamin_C.gif]]
|-
|3D structure
|<jmol>
<jmolApplet>
<size>325</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 XICKAV
ATOM 1 C1 MOL 1 15.003 13.124 0.024 1.00 0.00
ATOM 2 C2 MOL 1 16.256 12.216 0.048 1.00 0.00
ATOM 3 O3 MOL 1 14.696 13.485 -1.323 1.00 0.00
ATOM 4 C4 MOL 1 13.783 12.404 0.645 1.00 0.00
ATOM 5 O5 MOL 1 17.367 12.914 -0.520 1.00 0.00
ATOM 6 C6 MOL 1 13.369 11.138 -0.081 1.00 0.00
ATOM 7 O7 MOL 1 12.558 13.256 0.647 1.00 0.00
ATOM 8 O8 MOL 1 14.203 10.059 -0.386 1.00 0.00
ATOM 9 C9 MOL 1 12.090 11.182 -0.361 1.00 0.00
ATOM 10 C10 MOL 1 11.563 12.425 0.083 1.00 0.00
ATOM 11 O11 MOL 1 11.368 10.181 -0.999 1.00 0.00
ATOM 12 O12 MOL 1 10.382 12.761 -0.052 1.00 0.00
ATOM 13 H13 MOL 1 14.048 12.129 1.672 1.00 0.00
ATOM 14 H27 MOL 1 15.201 13.943 0.563 1.00 0.00
ATOM 15 H29 MOL 1 16.467 11.966 0.993 1.00 0.00
ATOM 16 H31 MOL 1 16.076 11.388 -0.483 1.00 0.00
ATOM 17 H33 MOL 1 13.887 14.072 -1.336 1.00 0.00
ATOM 18 H35 MOL 1 18.175 12.325 -0.503 1.00 0.00
ATOM 19 H37 MOL 1 13.679 9.357 -0.867 1.00 0.00
ATOM 20 H39 MOL 1 10.413 10.464 -1.090 1.00 0.00
END</inlineContents>
</jmolApplet>
</jmol>
|-
| [[IUPAC nomenclature|Chemical name]]
| '2-oxo-L-threo-hexono-1,4-lactone-2,3-enediol
or ( R )-3,4-dihydroxy-5-((S)-1,2-dihydoxyethyl)furan-2(5H)-one
'
|-
| [[CAS nummber]]
| 50-81-7
|-
| [[Chemical formula]]
| {{{formula|C<sub>6</sub>H<sub>8</sub>O<sub>6</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|176.13 g/mol
|-
| [[Simplified molecular input line entry specification|SMILES]]
| {{{SMILES|OC1=C(C(O[C@@H]1[C@H](CO)O)=O)O
|-
| [[Simplified molecular input line entry specification|Density]]
| {{{Density| 1.65
|-
| [[Melting point]]
| 190 -192 ºC(decomposes)
|}

===Brief description===
Vitamin C is an ascorbic acid which is only weakly acidic. The asorbic acid compound shows optical isomerisim producing two enantiomers of which only the L- enantiomer shows biological activity, its mirror image (the D- emantiomer) shows none . Vitamin C for commercial use is usually a mix of ascorbic acid , sodium ascorbate and sometimes various other ascorbates, sometimes they contain both the L and the D-enantiomer of the acid as it is harmless.

==Use of vitamin C==

• Antiscorbutic properties

-It prevents the onset of scurvy, a bleeding disease affecting those with a deficiency of fresh vegetables and citrus fruits in their diet.

• Reductant in photographic developer solutions and as a preservative.
• Ascorbic acid and its sodium, potassium, and calcium salts are commonly used as antioxidant food additives.

Other possible uses of vitamin C (lacking scientific proofs)

• Prevent the common cold

• Prevent the cure infertility

• Inhibit the development of gastric and cancers.

==IR spectrum of Vitamin C==
[[Image:IR_of_Vc.gif]]

==Acidity of Vitamin C==
[[Image:acidity.gif]]

==Tautomerism==

Ascorbic acid can also interchange to two unstable diketone tautomers, 1,2-diketone and 1,3-diketone.

[[Image:interchange.gif]]

==Synthesis==
The Hoffmann-La Roche Company synthesizes ascorbic acid from glucose through the 5-step rout shown below:

[[Image:synthesisvc.gif]]

==Reference==
Orangic Chemistry by John Mcmurry

http://en.wikipedia.org/wiki/Vitamin_C

http://www.beta-glucan-info.com/vitaminchistory.htm

IR diagram from
http://www.chemgapedia.de/vsengine/vlu/vsc/de/ch/3/anc/vitamin_c/strukturaufklaerung.vlu/Page/vsc/de/ch/3/anc/vitamin_c/3_strukturaufkl/aufgabe_ir/aufgstrukir_m87te0102.vscml.html

It:Caffeine

2006-12-08T15:24:10Z

Smbc05: /* References */

==Introduction==
Caffeine is one of the most widely used central nervous system stimulant. Caffeine is present in coffee, tea, chocolate, soft drinks (eg. red bull, coca-cola). Its effects (vary from person to person and are affected by the body size, and tolerance) include: reduced drowsiness, improved attention span, and faster blood circulation. When used in large doses and over a long period of time a 'dependancy' may arise, a person may even suffer from withdrawal symptoms if they stop taking it.

==Spectra==
Below are the <sup>13</sup>C NMR and the IR spectra of caffeine
[[Image:Caffeine_NMR1.jpg|thumb|left|200|<sup>13</sup>C NMR]]
[[Image:Caffeine_IR.jpg|thumb|right|200|IR]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Caffeine'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Caffeine.gif]]
|-
| [[Chemical name]]
| ''1,3,7-trimethyl-2,6-dioxopurine
|-
| [[CAS nummber]]
| 58-08-2
|-
| [[Chemical formula]]
| {{{formula|C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|194.1926 g/mol
|-
| [[Melting point]]
| 238 °C
|-
| [[Boiling point]]
| 178 °C
|-
| [[Water Solubility]]
| 1-5g/100 ml at 23 C
1g/5.5 ml at 88 C
|-
| [[Density]]
| 1.23
|-
| [[Comments]]
| White solid, usually powder or needle-like
Light sensitive
|-
|}

==Synthesis==
Emil Fischer was the first person to synthesise caffeine, in 1895 however his real objective was to study purines in general. The synthesis of caffeine is not an industrially used process as its extraction from coffee beans or even tea leaves is a much more cost effective process and yields 99.5% pure caffeine. A possible way to synthesis caffeine artificially, from Uracil is shown below. The first step is to methylate the uracil, there are 3 alternate ways in which this can be done the yield however is fairly poor with 10% for method 1, 20% for method 2 and 60% for method 3, the subsequent steps involve nitration, reduction (of the nitro- group), and a ring forming reaction, to form theophylline, and an another methylation to for caffeine.

[[Image:Caffsyn1.jpg|thumb|left|400|Step 1]]
[[Image:Caffsyn2.gif|thumb|left|400|Steps 2-6]]

==Metabolism==

Caffeine is completely absorbed by the stomach and small intestine within 45 minutes of ingestion. After ingestion it is taken to all the tissues in the body and is eliminated by first oreder kinetics.
The half-life of caffeine: the time required for the body to eliminate one-half of the total amount of caffeine consumed at a given time. It varies widely among individuals according to such factors such as age, liver function, pregnancy and the level of enzymes present in the liver needed for caffeine breakdown. In healthy adults, caffeine's half-life is approximately 3-4 hours. In women taking oral contraceptives this is increased to 5-10 hours, and in pregnant women the half-life is approximately 9-11 hours.

Caffeine is matabolised in the liver by the cytochrome P450 oxidase enzyme system, into three metabolic dimethylxanthines.
*Paraxanthine (84%) – Has the effect of increasing lipolysis, leading to elevated glycerol and free fatty acid levels in the blood plasma.
*Theobromine (12%) – Dilates blood vessels and increases urine volume. Theobromine is also the principal alkaloid in cocoa, and therefore chocolate.
*Theophylline (4%) – Relaxes smooth muscles of the bronchi, and is used to treat asthma. The therapeutic dose of theophylline, however, is many times greater than the levels attained from caffeine metabolism.

paraxanthine
<jmol>
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<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:42:09 GMT Standard Time 2006
ATOM 1 O1 MOL 1 11.959 13.788 0.003 1.00 0.00
ATOM 2 C2 MOL 1 12.065 12.554 0.001 1.00 0.00
ATOM 3 C3 MOL 1 13.350 11.903 0.000 1.00 0.00
ATOM 4 N4 MOL 1 10.933 11.727 -0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.488 10.603 0.000 1.00 0.00
ATOM 6 N6 MOL 1 14.591 12.442 0.000 1.00 0.00
ATOM 7 C7 MOL 1 9.620 12.302 -0.007 1.00 0.00
ATOM 8 C8 MOL 1 11.097 10.308 0.002 1.00 0.00
ATOM 9 N9 MOL 1 12.400 9.739 0.002 1.00 0.00
ATOM 10 N10 MOL 1 14.865 10.274 -0.002 1.00 0.00
ATOM 11 C11 MOL 1 14.914 13.842 0.003 1.00 0.00
ATOM 12 C12 MOL 1 15.524 11.381 -0.002 1.00 0.00
ATOM 13 O13 MOL 1 10.102 9.571 0.003 1.00 0.00
TER
</inlineContents>
</jmolApplet>
</jmol>

Theorombine
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:49:33 GMT Standard Time 2006
ATOM 1 C1 MOL 1 12.056 15.417 0.008 1.00 0.00
ATOM 2 N2 MOL 1 12.208 13.956 0.001 1.00 0.00
ATOM 3 C3 MOL 1 13.490 13.356 -0.003 1.00 0.00
ATOM 4 C4 MOL 1 11.053 13.083 0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.649 12.058 -0.003 1.00 0.00
ATOM 6 N6 MOL 1 14.753 13.991 -0.007 1.00 0.00
ATOM 7 O7 MOL 1 9.913 13.565 0.003 1.00 0.00
ATOM 8 N8 MOL 1 11.233 11.665 -0.002 1.00 0.00
ATOM 9 C9 MOL 1 12.537 11.123 -0.003 1.00 0.00
ATOM 10 N10 MOL 1 14.981 11.819 -0.001 1.00 0.00
ATOM 11 C11 MOL 1 15.648 13.065 -0.008 1.00 0.00
ATOM 12 O12 MOL 1 12.720 9.898 -0.007 1.00 0.00
ATOM 13 C13 MOL 1 15.617 10.532 0.023 1.00 0.00
TER
</inlineContents>
</jmolApplet>
</jmol>

Theophylline
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:54:14 GMT Standard Time 2006
ATOM 1 O1 MOL 1 12.035 15.254 0.008 1.00 0.00
ATOM 2 C2 MOL 1 12.096 14.019 0.004 1.00 0.00
ATOM 3 C3 MOL 1 13.363 13.331 0.001 1.00 0.00
ATOM 4 N4 MOL 1 10.934 13.230 -0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.451 12.029 0.001 1.00 0.00
ATOM 6 N6 MOL 1 14.623 13.860 -0.001 1.00 0.00
ATOM 7 C7 MOL 1 9.640 13.849 -0.007 1.00 0.00
ATOM 8 C8 MOL 1 11.052 11.811 -0.000 1.00 0.00
ATOM 9 N9 MOL 1 12.333 11.206 0.003 1.00 0.00
ATOM 10 N10 MOL 1 14.793 11.651 -0.003 1.00 0.00
ATOM 11 C11 MOL 1 15.496 12.729 -0.005 1.00 0.00
ATOM 12 O12 MOL 1 10.037 11.107 -0.004 1.00 0.00
ATOM 13 C13 MOL 1 12.471 9.778 0.008 1.00 0.00
TER</inlineContents>
</jmolApplet>
</jmol>

==Extraction==
The main methods to extract caffeine are:

1. Methylene Chloride/Ethyl Acetate Processing
The raw materials (eg. coffee beans) are softened by steam or hot water, and then methylene chloride or ethyl acetate is added which bonds with the caffeine molecules.

2. CO<sub>2</sub> processing
This method involves 'pressure cooking' the raw ingredients with supercritical carbon dioxide, at a high temperature and pressure, the small CO<sub>2</sub> molecules extract the relatively small caffeine molecules, whilst the larger oils and flavouring compounds remain untouched. This makes this method popular for decaffeination of coffee.

3. Water extraction
Water extraction is similar to the methylene chloride/ ethyl acetate process, however instead of adding chemicals the raw materials are left to soak in hot water for longer, to allow the caffeine to diffuse into the water. The water is then passed through a carbon filter which removes the caffeine in the water, but as with the previous method does not affect the flavourings. The water is then passed back to the raw ingredients to allow reabsorption of these flavours.

==Effects==
Caffeine is used recreationally to help stay awake, while in medicine it is used to reduce headaches, as a cardiac stimulant, and also to increase urine production. The reason that caffeine reduces drownsiness is because it binds to the adenosine receptors of the nervous system (adenosine causes drowsiness), and therefore prevents adenosine from doing so. Caffeine also constricts the vessels for blood flow to the brain, and therefore increases its activity.
This increased activity is percieved by the pituitary gland as a sign of danger or emergency, and it releases adrenaline, which makes the heart beat faster, pupils to dilate, and the liver to release sugars (and therefore energy). Caffeine has also got an effect on dopamine release in the brain, which 'activates the pleasure center' of the brain.

Overdosing on caffeine is possible; a small overdose (in excess of 250 milligrams) can result in overstimulisation of the nervous system (sometimes called caffeine intoxication). This causes restlessness, insomnia, muscle twitching, nervousness and a rapid heart beat. Extreme doses are also possible and can even lead to death, the lethal dose is estimated to be 150-200mg per kilo of body mass, although this is difficult to reach with coffee or tea, deaths have been reported from overdosing on caffeine pills.Long-term overuse of caffeine can also result in sleeping disorders and even psychiatric disturbances (such as anxiety , panic attacks etc).

==References==
1. Synthetic communications [0039-7911] Zajac yr:2003 vol:33 iss:19 pg:3291

2. [http://www.howstuffworks.com]

3.http://en.wikipedia.org/wiki/Caffeine

It:Caffeine

2006-12-08T15:17:37Z

Smbc05: /* Effects */

It:Caffeine

2006-12-08T15:11:50Z

Smbc05: /* Effects */

==Introduction==
Caffeine is one of the most widely used central nervous system stimulant. Caffeine is present in coffee, tea, chocolate, soft drinks (eg. red bull, coca-cola). Its effects (vary from person to person and are affected by the body size, and tolerance) include: reduced drowsiness, improved attention span, and faster blood circulation. When used in large doses and over a long period of time a 'dependancy' may arise, a person may even suffer from withdrawal symptoms if they stop taking it.

==Spectra==
Below are the <sup>13</sup>C NMR and the IR spectra of caffeine
[[Image:Caffeine_NMR1.jpg|thumb|left|200|<sup>13</sup>C NMR]]
[[Image:Caffeine_IR.jpg|thumb|right|200|IR]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Caffeine'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Caffeine.gif]]
|-
| [[Chemical name]]
| ''1,3,7-trimethyl-2,6-dioxopurine
|-
| [[CAS nummber]]
| 58-08-2
|-
| [[Chemical formula]]
| {{{formula|C<sub>8</sub>H<sub>10</sub>N<sub>4</sub>O<sub>2</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|194.1926 g/mol
|-
| [[Melting point]]
| 238 °C
|-
| [[Boiling point]]
| 178 °C
|-
| [[Water Solubility]]
| 1-5g/100 ml at 23 C
1g/5.5 ml at 88 C
|-
| [[Density]]
| 1.23
|-
| [[Comments]]
| White solid, usually powder or needle-like
Light sensitive
|-
|}

==Synthesis==
Emil Fischer was the first person to synthesise caffeine, in 1895 however his real objective was to study purines in general. The synthesis of caffeine is not an industrially used process as its extraction from coffee beans or even tea leaves is a much more cost effective process and yields 99.5% pure caffeine. A possible way to synthesis caffeine artificially, from Uracil is shown below. The first step is to methylate the uracil, there are 3 alternate ways in which this can be done the yield however is fairly poor with 10% for method 1, 20% for method 2 and 60% for method 3, the subsequent steps involve nitration, reduction (of the nitro- group), and a ring forming reaction, to form theophylline, and an another methylation to for caffeine.

[[Image:Caffsyn1.jpg|thumb|left|400|Step 1]]
[[Image:Caffsyn2.gif|thumb|left|400|Steps 2-6]]

==Metabolism==

Caffeine is completely absorbed by the stomach and small intestine within 45 minutes of ingestion. After ingestion it is taken to all the tissues in the body and is eliminated by first oreder kinetics.
The half-life of caffeine: the time required for the body to eliminate one-half of the total amount of caffeine consumed at a given time. It varies widely among individuals according to such factors such as age, liver function, pregnancy and the level of enzymes present in the liver needed for caffeine breakdown. In healthy adults, caffeine's half-life is approximately 3-4 hours. In women taking oral contraceptives this is increased to 5-10 hours, and in pregnant women the half-life is approximately 9-11 hours.

Caffeine is matabolised in the liver by the cytochrome P450 oxidase enzyme system, into three metabolic dimethylxanthines.
*Paraxanthine (84%) – Has the effect of increasing lipolysis, leading to elevated glycerol and free fatty acid levels in the blood plasma.
*Theobromine (12%) – Dilates blood vessels and increases urine volume. Theobromine is also the principal alkaloid in cocoa, and therefore chocolate.
*Theophylline (4%) – Relaxes smooth muscles of the bronchi, and is used to treat asthma. The therapeutic dose of theophylline, however, is many times greater than the levels attained from caffeine metabolism.

paraxanthine
<jmol>
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<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:42:09 GMT Standard Time 2006
ATOM 1 O1 MOL 1 11.959 13.788 0.003 1.00 0.00
ATOM 2 C2 MOL 1 12.065 12.554 0.001 1.00 0.00
ATOM 3 C3 MOL 1 13.350 11.903 0.000 1.00 0.00
ATOM 4 N4 MOL 1 10.933 11.727 -0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.488 10.603 0.000 1.00 0.00
ATOM 6 N6 MOL 1 14.591 12.442 0.000 1.00 0.00
ATOM 7 C7 MOL 1 9.620 12.302 -0.007 1.00 0.00
ATOM 8 C8 MOL 1 11.097 10.308 0.002 1.00 0.00
ATOM 9 N9 MOL 1 12.400 9.739 0.002 1.00 0.00
ATOM 10 N10 MOL 1 14.865 10.274 -0.002 1.00 0.00
ATOM 11 C11 MOL 1 14.914 13.842 0.003 1.00 0.00
ATOM 12 C12 MOL 1 15.524 11.381 -0.002 1.00 0.00
ATOM 13 O13 MOL 1 10.102 9.571 0.003 1.00 0.00
TER
</inlineContents>
</jmolApplet>
</jmol>

Theorombine
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:49:33 GMT Standard Time 2006
ATOM 1 C1 MOL 1 12.056 15.417 0.008 1.00 0.00
ATOM 2 N2 MOL 1 12.208 13.956 0.001 1.00 0.00
ATOM 3 C3 MOL 1 13.490 13.356 -0.003 1.00 0.00
ATOM 4 C4 MOL 1 11.053 13.083 0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.649 12.058 -0.003 1.00 0.00
ATOM 6 N6 MOL 1 14.753 13.991 -0.007 1.00 0.00
ATOM 7 O7 MOL 1 9.913 13.565 0.003 1.00 0.00
ATOM 8 N8 MOL 1 11.233 11.665 -0.002 1.00 0.00
ATOM 9 C9 MOL 1 12.537 11.123 -0.003 1.00 0.00
ATOM 10 N10 MOL 1 14.981 11.819 -0.001 1.00 0.00
ATOM 11 C11 MOL 1 15.648 13.065 -0.008 1.00 0.00
ATOM 12 O12 MOL 1 12.720 9.898 -0.007 1.00 0.00
ATOM 13 C13 MOL 1 15.617 10.532 0.023 1.00 0.00
TER
</inlineContents>
</jmolApplet>
</jmol>

Theophylline
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:54:14 GMT Standard Time 2006
ATOM 1 O1 MOL 1 12.035 15.254 0.008 1.00 0.00
ATOM 2 C2 MOL 1 12.096 14.019 0.004 1.00 0.00
ATOM 3 C3 MOL 1 13.363 13.331 0.001 1.00 0.00
ATOM 4 N4 MOL 1 10.934 13.230 -0.001 1.00 0.00
ATOM 5 C5 MOL 1 13.451 12.029 0.001 1.00 0.00
ATOM 6 N6 MOL 1 14.623 13.860 -0.001 1.00 0.00
ATOM 7 C7 MOL 1 9.640 13.849 -0.007 1.00 0.00
ATOM 8 C8 MOL 1 11.052 11.811 -0.000 1.00 0.00
ATOM 9 N9 MOL 1 12.333 11.206 0.003 1.00 0.00
ATOM 10 N10 MOL 1 14.793 11.651 -0.003 1.00 0.00
ATOM 11 C11 MOL 1 15.496 12.729 -0.005 1.00 0.00
ATOM 12 O12 MOL 1 10.037 11.107 -0.004 1.00 0.00
ATOM 13 C13 MOL 1 12.471 9.778 0.008 1.00 0.00
TER</inlineContents>
</jmolApplet>
</jmol>

==Extraction==
The main methods to extract caffeine are:

1. Methylene Chloride/Ethyl Acetate Processing
The raw materials (eg. coffee beans) are softened by steam or hot water, and then methylene chloride or ethyl acetate is added which bonds with the caffeine molecules.

2. CO<sub>2</sub> processing
This method involves 'pressure cooking' the raw ingredients with supercritical carbon dioxide, at a high temperature and pressure, the small CO<sub>2</sub> molecules extract the relatively small caffeine molecules, whilst the larger oils and flavouring compounds remain untouched. This makes this method popular for decaffeination of coffee.

3. Water extraction
Water extraction is similar to the methylene chloride/ ethyl acetate process, however instead of adding chemicals the raw materials are left to soak in hot water for longer, to allow the caffeine to diffuse into the water. The water is then passed through a carbon filter which removes the caffeine in the water, but as with the previous method does not affect the flavourings. The water is then passed back to the raw ingredients to allow reabsorption of these flavours.

==Effects==
Caffeine is used recreationally to help stay awake, while in medicine it is used to reduce headaches, as a cardiac stimulant, and also to increase urine production. The reason that caffeine reduces drownsiness is because it binds to the adenosine receptors of the nervous system (adenosine causes drowsiness), and therefore prevents adenosine from doing so. Caffeine also constricts the vessels for blood flow to the brain, and therefore increases its activity.
This increased activity is percieved by the pituitary gland as a sign of danger or emergency, and it releases adrenaline, which makes the heart beat faster, pupils to dilate, and the liver to release sugars (and therefore energy). Caffeine has also got an effect on dopamine release in the brain, which 'activates the pleasure center' of the brain.

Overdosing on caffeine is possible; a small overdose (in excess of 250 milligrams) can result in overstimulisation of the nervous system (sometimes called caffeine intoxication). This causes restlessness, insomnia, muscle twitching, nervousness and a rapid heart beat. Extreme doses are also possible and can even lead to death, the lethal dose is estimated to be 150-200mg per kilo of body mass, although this is difficult to reach with coffee or tea, deaths have been reported from overdosing on caffeine pills.

==References==
1. Synthetic communications [0039-7911] Zajac yr:2003 vol:33 iss:19 pg:3291

2. [http://www.howstuffworks.com]

It:sexithiophene

2006-12-05T12:02:53Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance = solid
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an [http://en.wikipedia.org/wiki/Organic_semiconductor organic semiconductor]. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a [http://en.wikipedia.org/wiki/Polythiophene polythiophene] (a polymer of [http://en.wikipedia.org/wiki/Thiophene thiophene] which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

(''reactions schemes taken from http://en.wikipedia.org/wiki/Polythiophene'')

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-05T12:01:26Z

Smbc05: /* Applications of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an [http://en.wikipedia.org/wiki/Organic_semiconductor organic semiconductor]. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a [http://en.wikipedia.org/wiki/Polythiophene polythiophene] (a polymer of [http://en.wikipedia.org/wiki/Thiophene thiophene] which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

(''reactions schemes taken from http://en.wikipedia.org/wiki/Polythiophene'')

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-05T12:00:09Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a [http://en.wikipedia.org/wiki/Polythiophene polythiophene] (a polymer of [http://en.wikipedia.org/wiki/Thiophene thiophene] which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

(''reactions schemes taken from http://en.wikipedia.org/wiki/Polythiophene'')

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-05T11:54:50Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a [http://en.wikipedia.org/wiki/Polythiophene polythiophene] (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

(''reactions schemes taken from http://en.wikipedia.org/wiki/Polythiophene'')

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-05T11:52:26Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

(''reactions schemes taken from http://en.wikipedia.org/wiki/Polythiophene'')

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-05T11:51:10Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.
[[Image:Chemical_synthesis.JPG]]

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

File:Chemical synthesis.JPG

2006-12-05T11:50:31Z

Smbc05:

It:sexithiophene

2006-12-05T11:49:08Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.Two methods of chemical synthesis are the McCullough and Rieke methods. The McCullough method involves a selective bromination which produces a 2-bromo-3-alkylthiophene. This compound then undergoes a transmetallation and kumada cross-coupling using a nickel catalyst to form the polythiophene. The Rieke method is where 2, 5-dibromo-3-alkylthiophene is reacted with “Rieke zinc" to produce a mixture of organometallic isomers which is then treated with Ni(dppe)Cl2 to form the polythiophene.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-04T11:54:47Z

Smbc05: /* References */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687
*http://en.wikipedia.org/wiki/Polythiophene

It:sexithiophene

2006-12-04T11:49:56Z

Smbc05: /* Synthesis of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
[[Image:Polythiophenes_Electropolymerization.JPG]]
*chemically by using oxidants or cross-coupling catalysts.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687

File:Polythiophenes Electropolymerization.JPG

2006-12-04T11:49:03Z

Smbc05:

It:sexithiophene

2006-12-04T11:48:23Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===Synthesis of sexithiophene===

Sexithiophene is a polythiophene (a polymer of thiophene which is an aromatic sulphur heterocycle). Polythiophenes are synthesised either:
*electrochemically by applying a potential across a solution of the monomer to be polymerised.
*chemically by using oxidants or cross-coupling catalysts.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687

It:sexithiophene

2006-12-04T11:09:54Z

Smbc05: /* References */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = Sexithiophene
| OtherNames =
| Formula = C<sub>24</sub>H<sub>14</sub>S<sub>6</sub>
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html
*http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/594687

It:sexithiophene

2006-12-04T11:08:16Z

Smbc05: /* References */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| Box-Name = Sexithiophene
| ImageFile = Sexithiophene1.JPG
| IUPACName = sexithiophene
| OtherNames =
| Formula = C24H14S6
| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

===References===
*http://www.cnrs.fr/cw/en/pres/compress/electroplast.html

It:sexithiophene

2006-12-04T11:07:28Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

It:sexithiophene

2006-12-04T11:01:57Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

File:Sexithiophene1.JPG

2006-12-04T11:00:06Z

Smbc05:

It:sexithiophene

2006-12-04T10:57:42Z

Smbc05: /* Applications of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| ImageFile =
| IUPACName = sexithiophene
| OtherNames =
| Formula = C24H14S6
| SMILES = C1(C2=CC=C (C3=CC=C(C4=CC=C(C5=CC=C (C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors). Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

It:sexithiophene

2006-12-04T10:54:29Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==

{{Chem-Data_General|
| ImageFile =
| IUPACName = sexithiophene
| OtherNames =
| Formula = C24H14S6

| SMILES = C1(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C (C6=CC=CS6)S5)S4)S3)S2)=CC=CS1
| MolarMass = 494.76
| Appearance =
| CASNo = 88493-55-4

}}

===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

It:sexithiophene

2006-12-04T10:52:19Z

Smbc05: /* Applications of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==
===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===
[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

It:sexithiophene

2006-12-04T10:51:43Z

Smbc05: /* Applications of sexithiophene */

==Sexithiophene - The 'Sexi' Molecule==
===Brief Description===
*''The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.''
<div align="center">
<jmol>
<jmolApplet>
<size>300</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>
</div>
===Electronic Properties===
*The thiophene oligomers (nT, n standing for number of thiophenes) were first synthesised around 60 years ago and initial investigations into these oligomers showed that the 4T structure was useful as a insecticide. More recently the applications of these species have moved towards use in electronic devices such as Field –Effect Transistors (FET) and Light Emitting Diodes (LED). The Sexithiophene 6T oligomers derivatives have reported the highest Field-Effect mobility for organic-based FET devices known to date.

===Applications of sexithiophene===

*Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

It:sexithiophene

2006-12-04T10:41:40Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==
===Brief Description===
*<pre>The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.</pre>

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>

===Applications of sexithiophene===

Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

[[Image:Sexithiophenepicture.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

File:Sexithiophenepicture.JPG

2006-12-04T10:41:06Z

Smbc05:

It:sexithiophene

2006-12-04T10:37:43Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==
===Brief Description===
*The Sexithiophene molecule consists of 6 thiophene subunits which contains conjugated double bonds. within This makes the molecule an electrical conductor and renders it useful for application in Organic Polymer Electronics.

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>

===Applications of sexithiophene===

Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

[[Image:Sexithiophene_crystal.JPG|frame|<nowiki>Single Crystal of Sexithiophene (6T) © CNRS – LMM/Photograph: D. Fichou</nowiki>]]

It:sexithiophene

2006-12-04T10:30:15Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

==Sexithiophene - The 'Sexi' Molecule==

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>

===Applications of sexithiophene===

Sexithiophene is a conjugated molecule which can be used as an organic semiconductor. In its solid state sexithiophene is a highly ordered material with a high degree of crystallinity even in a thin film explaining the compounds excellent transport properties.

Organic semi conductors play a vital role in the development of new applications in the field known as “plastic” electronics. They have a large number of advantages in comparison to silicon and other mineral semiconductors (which are normally used to make up transistors).

Organic semiconductors (unlike mineral semiconductors) can be deposited in a thin film on to a surface using relatively inexpensive techniques; they can also be applied to flexible support systems. The potential uses of the organic semiconductor are vast including areas such as integrated circuits, display devices (flat screens) and logic microelectronics.

[[Image:Sexithiophene_crystal.JPG]]

It:sexithiophene

2006-12-04T10:29:09Z

Smbc05: /* Sexithiophene - The 'Sexi' Molecule */

File:Sexithiophene crystal.JPG

2006-12-04T10:27:16Z

Smbc05:

It:sexithiophene

2006-12-04T10:23:14Z

Smbc05:

==Sexithiophene==

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>

It:sexithiophene

2006-12-04T10:21:54Z

Smbc05:

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1; spin on;</script>
<inlineContents>HEADER REMARK MSI WebLab Viewer PDB file
REMARK Created: Tue Nov 21 11:32:39 GMT Standard Time 2006
ATOM 1 C1 MOL 1 19.501 2.853 0.011 1.00 0.00
ATOM 2 S2 MOL 1 18.226 4.036 0.014 1.00 0.00
ATOM 3 C3 MOL 1 17.012 2.788 -0.002 1.00 0.00
ATOM 4 C4 MOL 1 17.539 1.562 -0.005 1.00 0.00
ATOM 5 C5 MOL 1 19.036 1.602 0.000 1.00 0.00
ATOM 6 C6 MOL 1 22.879 4.470 0.007 1.00 0.00
ATOM 7 C7 MOL 1 21.384 4.438 0.024 1.00 0.00
ATOM 8 C8 MOL 1 20.915 3.192 0.011 1.00 0.00
ATOM 9 S9 MOL 1 22.191 2.016 -0.018 1.00 0.00
ATOM 10 C10 MOL 1 23.435 3.251 -0.019 1.00 0.00
ATOM 11 C11 MOL 1 15.586 3.065 -0.008 1.00 0.00
ATOM 12 S12 MOL 1 14.351 1.837 0.014 1.00 0.00
ATOM 13 C13 MOL 1 13.095 3.048 -0.005 1.00 0.00
ATOM 14 C14 MOL 1 13.586 4.290 -0.027 1.00 0.00
ATOM 15 C15 MOL 1 15.078 4.298 -0.028 1.00 0.00
ATOM 16 C16 MOL 1 11.185 1.502 0.025 1.00 0.00
ATOM 17 C17 MOL 1 9.693 1.492 0.026 1.00 0.00
ATOM 18 C18 MOL 1 9.183 2.726 0.007 1.00 0.00
ATOM 19 S19 MOL 1 10.420 3.955 -0.011 1.00 0.00
ATOM 20 C20 MOL 1 11.675 2.743 0.004 1.00 0.00
ATOM 21 C21 MOL 1 7.756 2.999 0.000 1.00 0.00
ATOM 22 S22 MOL 1 6.544 1.751 -0.013 1.00 0.00
ATOM 23 C23 MOL 1 5.266 2.931 -0.008 1.00 0.00
ATOM 24 C24 MOL 1 5.730 4.183 0.001 1.00 0.00
ATOM 25 C25 MOL 1 7.227 4.226 0.005 1.00 0.00
ATOM 26 C26 MOL 1 3.383 1.344 -0.018 1.00 0.00
ATOM 27 C27 MOL 1 1.886 1.313 -0.005 1.00 0.00
ATOM 28 C28 MOL 1 1.332 2.532 0.014 1.00 0.00
ATOM 29 S29 MOL 1 2.576 3.766 0.013 1.00 0.00
ATOM 30 C30 MOL 1 3.851 2.590 -0.008 1.00 0.00
ATOM 31 H31 MOL 1 17.001 0.719 -0.011 1.00 0.00
ATOM 32 H32 MOL 1 19.618 0.788 -0.003 1.00 0.00
ATOM 33 H33 MOL 1 23.411 5.316 0.013 1.00 0.00
ATOM 34 H34 MOL 1 20.806 5.254 0.043 1.00 0.00
ATOM 35 H35 MOL 1 24.419 3.071 -0.036 1.00 0.00
ATOM 36 H36 MOL 1 13.021 5.115 -0.041 1.00 0.00
ATOM 37 H37 MOL 1 15.632 5.131 -0.042 1.00 0.00
ATOM 38 H38 MOL 1 11.751 0.677 0.040 1.00 0.00
ATOM 39 H39 MOL 1 9.140 0.659 0.039 1.00 0.00
ATOM 40 H40 MOL 1 5.147 4.996 0.004 1.00 0.00
ATOM 41 H41 MOL 1 7.764 5.069 0.011 1.00 0.00
ATOM 42 H42 MOL 1 3.961 0.528 -0.033 1.00 0.00
ATOM 43 H43 MOL 1 1.354 0.467 -0.009 1.00 0.00
ATOM 44 H44 MOL 1 0.348 2.712 0.026 1.00 0.00
TER

END</inlineContents>
</jmolApplet>
</jmol>

It:projects

2006-12-04T10:20:55Z

Smbc05: /* Supplemental Project Page */

__FORCETOC__

'''''You MUST use the Edit buttons on the right to edit this content. Do NOT use the Edit button on the top of this page.'''''
== Sandbox (Play-Pen) ==

This is an area where you can play without worrying what you do. Enter it by pressing the [Edit] button '''on the right''' and '''not''' at the top. Go here for a [http://en.wikipedia.org/wiki/Wikipedia:Cheatsheet ''cheat sheet''] summary of how to create a Wiki page. It's a free-for-all in here! Learn how to use a Wiki by coming here! PS This is how to do Greek: Α, α, β Δ, δ
Try copying/pasting some of the [http://www.ch.ic.ac.uk/local/it/lab1.html examples in the course work] into this page. See the effect by selecting '''Show Preview'''. No not use '''Save Page''' so as to leave this area uncluttered for others.
----

== Main Project Page ==
'''Please do not edit this page itself'''. Click on one of the titles to start editing.
{| summary="CIT Project Titles" border="1"
! bgcolor="cyan" |Project<br /> Number
! bgcolor="cyan" |General Keywords
|-
| bgcolor="#CCFF00" |01
| bgcolor="#CCFF00" | [[it:Lignocaine|Lignocaine (used in dentistry as a "local")]]
|-
| bgcolor="#CCFF00" |02
| bgcolor="#66FF99" | [[it:Piperine|Piperine (active ingredient of both black and white pepper)]]
|-
| bgcolor="#CCFF00" |03
| bgcolor="#CCFF00" | [[it:Rapamycin|Rapamycin (prevents transplant rejection)]]
|-
| bgcolor="#CCFF00" |04
| bgcolor="#66FF99" | [[it:Gossypol|Gossypol (male birth control)]]
|-
| bgcolor="#CCFF00" |05
| bgcolor="#CCFF00" | [[it:Gentamycin|Gentamicin A (aminoglycoside antibiotic)]]
|-
| bgcolor="#CCFF00" |06
| bgcolor="#66FF99" | [[it:Herceptin|Herceptin (topical anticancer drug)]]
|-
| bgcolor="#CCFF00" |07
| bgcolor="#CCFF00" | [[it:Gingerone|Zingerone (the characteristic smell of ginger)]]
|-
| bgcolor="#CCFF00" |08
| bgcolor="#66FF99" | [[it:Sucralose|Sucralose (non-metabolizable sweetening agent)]]
|-
| bgcolor="#CCFF00" |09
| bgcolor="#CCFF00" | [[it:Bufotoxin|Bufotoxin (active component of the toad ''Bufo vulgaris'')]]
|-
| bgcolor="#CCFF00" |10
| bgcolor="#66FF99" | [[it:Roaccutane|Roaccutane (treatment for severe acne)]]
|-
| bgcolor="#CCFF00" |11
| bgcolor="#CCFF00" | [[it:Sibutramine|Sibutramine (appetite suppresor)]]
|-
| bgcolor="#CCFF00" |12
| bgcolor="#66FF99" | [[it:Anandamide|Anandamide (the "feel-good" factor in chocolate)]]
|-
| bgcolor="#CCFF00" |13
| bgcolor="#CCFF00" | [[it:h3nbh3|Ammonia-borane: H<sub>3</sub>N-BH<sub>3</sub> (Hydrogen storage molecule?)]]
|-
| bgcolor="#CCFF00" |14
| bgcolor="#66FF99" | [[it:Methoxsalen|Methoxsalen (Treatment of psoriasis)]]
|-
| bgcolor="#CCFF00" |15
| bgcolor="#CCFF00" | [[it:Hycocine|Hyoscine (From Mandrake and Witches Henbane, pre-med before surgery)]]
|-
| bgcolor="#CCFF00" |16
| bgcolor="#66FF99" | [[it:Capreomycin|Capreomycin (Drug-resistant TB)]]
|-
| bgcolor="#CCFF00" |17
| bgcolor="#CCFF00" | [[it:wilkinson|Wilkinson's catalyst]]
|-
| bgcolor="#CCFF00" |18
| bgcolor="#66FF99" | [[it:Jacobsen|Jacobsen's epoxidation catalyst]]
|-
| bgcolor="#CCFF00" |19
| bgcolor="#CCFF00" | [[it:Methylaluminoxane|Methylaluminoxane: MAO - hugely important ethylene polymerisation cocatalyst]]
|-
| bgcolor="#CCFF00" |20
| bgcolor="#66FF99" | [[it:Schwartz|Schwartz reagent for the hydrozirconation of alkenes and alkynes]]
|-
| bgcolor="#CCFF00" |21
| bgcolor="#CCFF00" | [[it:Schrock|Schrock metathesis catalyst]]
|-
| bgcolor="#CCFF00" |22
| bgcolor="#66FF99" | [[it:knots|Molecular-scale knots (nanoscale devices)]]
|-
|bgcolor="#CCFF00" |23
| bgcolor="#CCFF00" | [[it:Vioxx|Vioxx (treatment of osteoarthritis symptoms and pain)]]
|-
| bgcolor="#CCFF00" |24
| bgcolor="#66FF99" | [[it:Sertraline|Sertraline HCl (anti-depression)]]
|-
| bgcolor="#CCFF00" |25
| bgcolor="#CCFF00" | [[it:Ceftriaxone|Ceftriaxone (Gonorrhoea)]]
|-
| bgcolor="#CCFF00" |26
| bgcolor="#66FF99" | [[it:Zithromycin|Zithromycin (anti-infective)]]
|-
| bgcolor="#CCFF00" |27
| bgcolor="#CCFF00" | [[it:Lipitor|Lipitor (Cholesterol reducing agent)]]
|-
| bgcolor="#CCFF00" |28
| bgcolor="#66FF99" | [[it:Cyameluric Acid|Cyameluric acid (Linus Pauling's last idea!)]]
|}

== Supplemental Project Page ==

This area is for people who wish to create their own projects if none of the above appeal to them. Click on the '''Edit''' button to the right to open up an editable page,
then add an entry below as follows

*<nowiki> [[it:name_of_project|Descriptive name of intended project]]</nowiki>
*This will produce the effect: [[it:name_of_project|Descriptive name of intended project]]
----
*[[it:sitagliptin_page|Sitagliptin]]
*[[it:Retinal|Retinal, molecule of sight]]
*[[it:Tamoxifen|Tamoxifen, breast cancer treatment]]
*[[it:Morphine|Morphine, painkiller]]
*[[it:Pelargonidin|Pelargonidin, colouring in nature]]
*[[it:Propanil|Propanil, weedkiller]]
*[[it:Ranitidine|Ranitidine, antiulcerative]]
*[[it:chlorphentermine|chlorphentermine, anorectic]]
*[[it:Serotonin|Serotonin, The 'HAPPY' Drug]]
*[[it:Amphidinolide T1|Amphidinolide T1]]
*[[it:Rosiglitazone|Rosiglitazone, drug that is currently used to treat diabetes.]]
*[[it:Furosemide|Furosemide]]
*[[it:Tryptophan|Tryptophan]]
*[[it:methylpentynol|methylpentynol, tranquilliser.]]
*[[it:Ferrocene|Ferrocene]]
*[[it:Scopolamine|Scopolamine, the (Former) Truth Drug]]
*[[it:Camptothecin|Camptothecin,Anti-cancer agent ]]
*[[it:Salmeterol|Salmeterol, an agonist used to treat asthma]]
*[[it:Psilocin|Psilocin]]
*[[it:Epibatidine|Epibatidine]]
*[[it:Beta Carotene|Beta Carotene]]
*[[it:Thyroxine|Thyroxine, the Thyroid Hormone]]
*[[it:Tetrahydrocannabinol|Tetrahydrocannabinol]]
*[[it:Linalool|Linalool(A component of essential oil)]]
*[[it:Dihydroartemisinin| Dihydroartemisinin, An Active Anti-Malarial]]
*[[it:Acrolein|Acrolein]]
*[[it:Cinnamaldehyde|Cinnamaldehyde: The smell and taste in the spice cinnamon]]
*[[it:Melatonin|Melatonin: The All-Natural Nightcap]]
*[[it:Benzylpiperazine|Benzylpiperazine (BZP): Party Pills]]
*[[it:Vanillin|Vanillin, flavouring used in food]]
*[[it:Gingerol|Gingerol, precursor of Zingerone]]
*[[it:MSG|MSG; because everyone loves the flavour]]
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*[[it:Fullerene]]
*[[it:Histrionicotoxin]]
*[[it:limonene]]
*[[it:Capsanthin]]
*[[it:Safrole|Safrole: A formerly popular food and drinks additive]]
*[[it:Adenosine_Triphosphate|Adenosine Triphosphate (ATP), Energy source in muscles]]
*[[it:Aspartame|Aspartame: Artificial sweetener]]
*[[it:Astemizole|Astemizole:non-sedating anti-histamine]]
*[[it:Flucloxacillin|Flucloxacillin:antibiotic]]
*[[it:Quinine|Quinine: The Perfect Tonic for Any Fever]]
*[[it:Caramel|Caramel]]
*[[it:Azithromycin|Azythromycin]]
*[[it:Artemisinin|Artemisinin: An antimalarial drug]]
*[[it:Bradykinin|Bradykinin]]
*[[it:Carminic_acid|Carminic acid, Red colouring agent]]
*[[it:Oxytocin|Oxytocin: The Hormone of Love]]
*[[it:Carmoisine|Carmoisine]]
*[[it:Ziegler-Natta|Ziegler-Natta]]
*[[it:Cyclamate|Cyclamate]]
*[[it:Polyurethane|Polyurethane]]
*[[it:sexithiophene|sexithiophene]]

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== Overlaps ==

If someone else starts editing a page at the same time as you, the system will detect this and offer alternatives for you to deal with. For example, it may suggest you copy the contents of the page you have been editing and merge it into the other person's page,
so that both the sets of edits are preserved. Read the on-screen instructions carefully!

Another precaution you could take is to keep a copy of the contents of the page you are editing in eg Wordpad (or Word),
make the changes there, and then copy the entire lot to the Wiki page to preview and then save. That way, if your contribution
is overlapped by someone else, you will still have a copy, and you can then resubmit it.
----
--[[User:Rzepa|Rzepa]] 12:25, 19 October 2006 (BST)--[[User:Rzepa|Rzepa]] 08:31, 5 November 2006 (UTC)

== Wiki Utillities ==
Utilities have been written to help the conversion of material from HTML.

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----
[[Template:Chem-Data]]

[[Template:Drug-Box]] - For pharmaceutical drugs just copy variable names and code generates tables

[[Template:Chembox supplement]] - to be linked to from the supplementary section of the table in the template above, for usage see [[Template_talk:chembox_supplement|here]]

[[Template:NFPA_704]] - for notes on how to use, see [[Template_talk:NFPA_704|here]]

[[R & S Phrases]]

It:Anandamide

2006-10-20T13:53:06Z

Smbc05: /* Anandamide */

== Anandamide ==

Anandamide (which is also known as arachidonoylethanolamide) is a naturally occurring endogenous cannabinoid neurotransmitter that plays a role in pain relief, eating and sleeping patterns, depression, memory and fertility. It can be found in the organs of both humans and animals, in particular the brain.

{| border="1"
|+ '''General data'''
|-
! Chemical name
| (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)
icosa-5,8,11,14-tetraenamide
|-
! Chemical formula
|C<sub>22</sub>H<sub>37</sub>NO<sub>2</sub>
|-
! Cas number
| 94421-68-8
|-
! Smile string
|CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(NCCO)=O
|}

'''Structue'''

[[Image:anandamide-struct.gif]]

<jmol>
<jmolApplet>
<size>400</size>
<color>#FF69B4</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 C 0 10.383 0.053 -2.692 0.00 0.00 C+0
ATOM 2 C 0 9.332 1.090 -2.291 0.00 0.00 C+0
ATOM 3 C 0 8.617 0.627 -1.021 0.00 0.00 C+0
ATOM 4 C 0 7.566 1.665 -0.620 0.00 0.00 C+0
ATOM 5 C 0 6.851 1.202 0.651 0.00 0.00 C+0
ATOM 6 C 0 5.816 2.224 1.045 0.00 0.00 C+0
ATOM 7 C 0 4.578 1.853 1.262 0.00 0.00 C+0
ATOM 8 C 0 4.223 0.388 1.280 0.00 0.00 C+0
ATOM 9 C 0 3.509 0.060 2.566 0.00 0.00 C+0
ATOM 10 C 0 2.354 -0.557 2.535 0.00 0.00 C+0
ATOM 11 C 0 1.817 -1.084 1.229 0.00 0.00 C+0
ATOM 12 C 0 1.480 -2.546 1.379 0.00 0.00 C+0
ATOM 13 C 0 0.288 -2.980 1.053 0.00 0.00 C+0
ATOM 14 C 0 -0.688 -2.059 0.368 0.00 0.00 C+0
ATOM 15 C 0 -1.192 -2.711 -0.894 0.00 0.00 C+0
ATOM 16 C 0 -2.480 -2.834 -1.099 0.00 0.00 C+0
ATOM 17 C 0 -3.458 -2.180 -0.157 0.00 0.00 C+0
ATOM 18 C 0 -4.447 -1.330 -0.958 0.00 0.00 C+0
ATOM 19 C 0 -5.440 -0.666 -0.002 0.00 0.00 C+0
ATOM 20 C 0 -6.413 0.171 -0.791 0.00 0.00 C+0
ATOM 21 N 0 -7.385 0.854 -0.154 0.00 0.00 N+0
ATOM 22 C 0 -8.332 1.668 -0.921 0.00 0.00 C+0
ATOM 23 C 0 -9.325 2.332 0.036 0.00 0.00 C+0
ATOM 24 O 0 -8.631 3.253 0.879 0.00 0.00 O+0
ATOM 25 O 0 -6.322 0.231 -1.999 0.00 0.00 O+0
ATOM 26 H 0 11.109 -0.059 -1.886 0.00 0.00 H+0
ATOM 27 H 0 9.896 -0.905 -2.877 0.00 0.00 H+0
ATOM 28 H 0 10.893 0.382 -3.597 0.00 0.00 H+0
ATOM 29 H 0 9.819 2.047 -2.106 0.00 0.00 H+0
ATOM 30 H 0 8.606 1.201 -3.097 0.00 0.00 H+0
ATOM 31 H 0 8.130 -0.330 -1.206 0.00 0.00 H+0
ATOM 32 H 0 9.343 0.516 -0.215 0.00 0.00 H+0
ATOM 33 H 0 8.053 2.622 -0.435 0.00 0.00 H+0
ATOM 34 H 0 6.840 1.776 -1.426 0.00 0.00 H+0
ATOM 35 H 0 6.364 0.245 0.466 0.00 0.00 H+0
ATOM 36 H 0 7.577 1.091 1.456 0.00 0.00 H+0
ATOM 37 H 0 6.094 3.262 1.148 0.00 0.00 H+0
ATOM 38 H 0 3.813 2.596 1.429 0.00 0.00 H+0
ATOM 39 H 0 3.573 0.162 0.436 0.00 0.00 H+0
ATOM 40 H 0 5.133 -0.207 1.208 0.00 0.00 H+0
ATOM 41 H 0 3.950 0.334 3.514 0.00 0.00 H+0
ATOM 42 H 0 1.786 -0.687 3.444 0.00 0.00 H+0
ATOM 43 H 0 0.918 -0.531 0.956 0.00 0.00 H+0
ATOM 44 H 0 2.570 -0.962 0.451 0.00 0.00 H+0
ATOM 45 H 0 2.223 -3.235 1.754 0.00 0.00 H+0
ATOM 46 H 0 0.005 -3.998 1.277 0.00 0.00 H+0
ATOM 47 H 0 -1.528 -1.859 1.033 0.00 0.00 H+0
ATOM 48 H 0 -0.190 -1.122 0.119 0.00 0.00 H+0
ATOM 49 H 0 -0.491 -3.078 -1.630 0.00 0.00 H+0
ATOM 50 H 0 -2.841 -3.403 -1.943 0.00 0.00 H+0
ATOM 51 H 0 -4.002 -2.948 0.393 0.00 0.00 H+0
ATOM 52 H 0 -2.918 -1.544 0.544 0.00 0.00 H+0
ATOM 53 H 0 -3.903 -0.562 -1.508 0.00 0.00 H+0
ATOM 54 H 0 -4.987 -1.965 -1.660 0.00 0.00 H+0
ATOM 55 H 0 -5.983 -1.434 0.548 0.00 0.00 H+0
ATOM 56 H 0 -4.899 -0.030 0.700 0.00 0.00 H+0
ATOM 57 H 0 -7.459 0.806 0.812 0.00 0.00 H+0
ATOM 58 H 0 -7.788 2.436 -1.471 0.00 0.00 H+0
ATOM 59 H 0 -8.872 1.032 -1.622 0.00 0.00 H+0
ATOM 60 H 0 -10.082 2.865 -0.540 0.00 0.00 H+0
ATOM 61 H 0 -9.805 1.569 0.648 0.00 0.00 H+0
ATOM 62 H 0 -9.291 3.648 1.464 0.00 0.00 H+0
CONECT 1 2 26 27 28 NONE 67
CONECT 2 1 3 29 30 NONE 68
CONECT 3 2 4 31 32 NONE 69
CONECT 4 3 5 33 34 NONE 70
CONECT 5 4 6 35 36 NONE 71
CONECT 6 5 7 37 0 NONE 72
CONECT 7 6 8 38 0 NONE 73
CONECT 8 7 9 39 40 NONE 74
CONECT 9 8 10 41 0 NONE 75
CONECT 10 9 11 42 0 NONE 76
CONECT 11 10 12 43 44 NONE 77
CONECT 12 11 13 45 0 NONE 78
CONECT 13 12 14 46 0 NONE 79
CONECT 14 13 15 47 48 NONE 80
CONECT 15 14 16 49 0 NONE 81
CONECT 16 15 17 50 0 NONE 82
CONECT 17 16 18 51 52 NONE 83
CONECT 18 17 19 53 54 NONE 84
CONECT 19 18 20 55 56 NONE 85
CONECT 20 19 21 25 0 NONE 86
CONECT 21 20 22 57 0 NONE 87
CONECT 22 21 23 58 59 NONE 88
CONECT 23 22 24 60 61 NONE 89
CONECT 24 23 62 0 0 NONE 90
CONECT 25 20 0 0 0 NONE 91
END NONE 92
</inlineContents>
</jmolApplet>
</jmol>
[[User:Smbc05|Smbc05]] 14:53, 20 October 2006 (BST)

It:Anandamide

2006-10-20T13:48:44Z

Smbc05:

It:Anandamide

2006-10-19T14:50:53Z

Smbc05:

== Anandamide ==

Anandamide (which is also known as arachidonoylethanolamide) is a naturally occurring endogenous cannabinoid neurotransmitter that plays a role in pain relief, eating and sleeping patterns, depression, memory and fertility. It can be found in the organs of both humans and animals, in particular the brain.

'''Structue'''

[[Image:anandamide-struct.gif]]

<jmol>
<jmolApplet>
<size>400</size>
<color>#FF69B4</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 C 0 10.383 0.053 -2.692 0.00 0.00 C+0
ATOM 2 C 0 9.332 1.090 -2.291 0.00 0.00 C+0
ATOM 3 C 0 8.617 0.627 -1.021 0.00 0.00 C+0
ATOM 4 C 0 7.566 1.665 -0.620 0.00 0.00 C+0
ATOM 5 C 0 6.851 1.202 0.651 0.00 0.00 C+0
ATOM 6 C 0 5.816 2.224 1.045 0.00 0.00 C+0
ATOM 7 C 0 4.578 1.853 1.262 0.00 0.00 C+0
ATOM 8 C 0 4.223 0.388 1.280 0.00 0.00 C+0
ATOM 9 C 0 3.509 0.060 2.566 0.00 0.00 C+0
ATOM 10 C 0 2.354 -0.557 2.535 0.00 0.00 C+0
ATOM 11 C 0 1.817 -1.084 1.229 0.00 0.00 C+0
ATOM 12 C 0 1.480 -2.546 1.379 0.00 0.00 C+0
ATOM 13 C 0 0.288 -2.980 1.053 0.00 0.00 C+0
ATOM 14 C 0 -0.688 -2.059 0.368 0.00 0.00 C+0
ATOM 15 C 0 -1.192 -2.711 -0.894 0.00 0.00 C+0
ATOM 16 C 0 -2.480 -2.834 -1.099 0.00 0.00 C+0
ATOM 17 C 0 -3.458 -2.180 -0.157 0.00 0.00 C+0
ATOM 18 C 0 -4.447 -1.330 -0.958 0.00 0.00 C+0
ATOM 19 C 0 -5.440 -0.666 -0.002 0.00 0.00 C+0
ATOM 20 C 0 -6.413 0.171 -0.791 0.00 0.00 C+0
ATOM 21 N 0 -7.385 0.854 -0.154 0.00 0.00 N+0
ATOM 22 C 0 -8.332 1.668 -0.921 0.00 0.00 C+0
ATOM 23 C 0 -9.325 2.332 0.036 0.00 0.00 C+0
ATOM 24 O 0 -8.631 3.253 0.879 0.00 0.00 O+0
ATOM 25 O 0 -6.322 0.231 -1.999 0.00 0.00 O+0
ATOM 26 H 0 11.109 -0.059 -1.886 0.00 0.00 H+0
ATOM 27 H 0 9.896 -0.905 -2.877 0.00 0.00 H+0
ATOM 28 H 0 10.893 0.382 -3.597 0.00 0.00 H+0
ATOM 29 H 0 9.819 2.047 -2.106 0.00 0.00 H+0
ATOM 30 H 0 8.606 1.201 -3.097 0.00 0.00 H+0
ATOM 31 H 0 8.130 -0.330 -1.206 0.00 0.00 H+0
ATOM 32 H 0 9.343 0.516 -0.215 0.00 0.00 H+0
ATOM 33 H 0 8.053 2.622 -0.435 0.00 0.00 H+0
ATOM 34 H 0 6.840 1.776 -1.426 0.00 0.00 H+0
ATOM 35 H 0 6.364 0.245 0.466 0.00 0.00 H+0
ATOM 36 H 0 7.577 1.091 1.456 0.00 0.00 H+0
ATOM 37 H 0 6.094 3.262 1.148 0.00 0.00 H+0
ATOM 38 H 0 3.813 2.596 1.429 0.00 0.00 H+0
ATOM 39 H 0 3.573 0.162 0.436 0.00 0.00 H+0
ATOM 40 H 0 5.133 -0.207 1.208 0.00 0.00 H+0
ATOM 41 H 0 3.950 0.334 3.514 0.00 0.00 H+0
ATOM 42 H 0 1.786 -0.687 3.444 0.00 0.00 H+0
ATOM 43 H 0 0.918 -0.531 0.956 0.00 0.00 H+0
ATOM 44 H 0 2.570 -0.962 0.451 0.00 0.00 H+0
ATOM 45 H 0 2.223 -3.235 1.754 0.00 0.00 H+0
ATOM 46 H 0 0.005 -3.998 1.277 0.00 0.00 H+0
ATOM 47 H 0 -1.528 -1.859 1.033 0.00 0.00 H+0
ATOM 48 H 0 -0.190 -1.122 0.119 0.00 0.00 H+0
ATOM 49 H 0 -0.491 -3.078 -1.630 0.00 0.00 H+0
ATOM 50 H 0 -2.841 -3.403 -1.943 0.00 0.00 H+0
ATOM 51 H 0 -4.002 -2.948 0.393 0.00 0.00 H+0
ATOM 52 H 0 -2.918 -1.544 0.544 0.00 0.00 H+0
ATOM 53 H 0 -3.903 -0.562 -1.508 0.00 0.00 H+0
ATOM 54 H 0 -4.987 -1.965 -1.660 0.00 0.00 H+0
ATOM 55 H 0 -5.983 -1.434 0.548 0.00 0.00 H+0
ATOM 56 H 0 -4.899 -0.030 0.700 0.00 0.00 H+0
ATOM 57 H 0 -7.459 0.806 0.812 0.00 0.00 H+0
ATOM 58 H 0 -7.788 2.436 -1.471 0.00 0.00 H+0
ATOM 59 H 0 -8.872 1.032 -1.622 0.00 0.00 H+0
ATOM 60 H 0 -10.082 2.865 -0.540 0.00 0.00 H+0
ATOM 61 H 0 -9.805 1.569 0.648 0.00 0.00 H+0
ATOM 62 H 0 -9.291 3.648 1.464 0.00 0.00 H+0
CONECT 1 2 26 27 28 NONE 67
CONECT 2 1 3 29 30 NONE 68
CONECT 3 2 4 31 32 NONE 69
CONECT 4 3 5 33 34 NONE 70
CONECT 5 4 6 35 36 NONE 71
CONECT 6 5 7 37 0 NONE 72
CONECT 7 6 8 38 0 NONE 73
CONECT 8 7 9 39 40 NONE 74
CONECT 9 8 10 41 0 NONE 75
CONECT 10 9 11 42 0 NONE 76
CONECT 11 10 12 43 44 NONE 77
CONECT 12 11 13 45 0 NONE 78
CONECT 13 12 14 46 0 NONE 79
CONECT 14 13 15 47 48 NONE 80
CONECT 15 14 16 49 0 NONE 81
CONECT 16 15 17 50 0 NONE 82
CONECT 17 16 18 51 52 NONE 83
CONECT 18 17 19 53 54 NONE 84
CONECT 19 18 20 55 56 NONE 85
CONECT 20 19 21 25 0 NONE 86
CONECT 21 20 22 57 0 NONE 87
CONECT 22 21 23 58 59 NONE 88
CONECT 23 22 24 60 61 NONE 89
CONECT 24 23 62 0 0 NONE 90
CONECT 25 20 0 0 0 NONE 91
END NONE 92
</inlineContents>
</jmolApplet>
</jmol>

It:Anandamide

2006-10-19T14:34:23Z

Smbc05:

== Anandamide ==

[[Image:anandamide-struct.gif]]

<jmol>
<jmolApplet>
<size>400</size>
<color>#FF69B4</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 C 0 10.383 0.053 -2.692 0.00 0.00 C+0
ATOM 2 C 0 9.332 1.090 -2.291 0.00 0.00 C+0
ATOM 3 C 0 8.617 0.627 -1.021 0.00 0.00 C+0
ATOM 4 C 0 7.566 1.665 -0.620 0.00 0.00 C+0
ATOM 5 C 0 6.851 1.202 0.651 0.00 0.00 C+0
ATOM 6 C 0 5.816 2.224 1.045 0.00 0.00 C+0
ATOM 7 C 0 4.578 1.853 1.262 0.00 0.00 C+0
ATOM 8 C 0 4.223 0.388 1.280 0.00 0.00 C+0
ATOM 9 C 0 3.509 0.060 2.566 0.00 0.00 C+0
ATOM 10 C 0 2.354 -0.557 2.535 0.00 0.00 C+0
ATOM 11 C 0 1.817 -1.084 1.229 0.00 0.00 C+0
ATOM 12 C 0 1.480 -2.546 1.379 0.00 0.00 C+0
ATOM 13 C 0 0.288 -2.980 1.053 0.00 0.00 C+0
ATOM 14 C 0 -0.688 -2.059 0.368 0.00 0.00 C+0
ATOM 15 C 0 -1.192 -2.711 -0.894 0.00 0.00 C+0
ATOM 16 C 0 -2.480 -2.834 -1.099 0.00 0.00 C+0
ATOM 17 C 0 -3.458 -2.180 -0.157 0.00 0.00 C+0
ATOM 18 C 0 -4.447 -1.330 -0.958 0.00 0.00 C+0
ATOM 19 C 0 -5.440 -0.666 -0.002 0.00 0.00 C+0
ATOM 20 C 0 -6.413 0.171 -0.791 0.00 0.00 C+0
ATOM 21 N 0 -7.385 0.854 -0.154 0.00 0.00 N+0
ATOM 22 C 0 -8.332 1.668 -0.921 0.00 0.00 C+0
ATOM 23 C 0 -9.325 2.332 0.036 0.00 0.00 C+0
ATOM 24 O 0 -8.631 3.253 0.879 0.00 0.00 O+0
ATOM 25 O 0 -6.322 0.231 -1.999 0.00 0.00 O+0
ATOM 26 H 0 11.109 -0.059 -1.886 0.00 0.00 H+0
ATOM 27 H 0 9.896 -0.905 -2.877 0.00 0.00 H+0
ATOM 28 H 0 10.893 0.382 -3.597 0.00 0.00 H+0
ATOM 29 H 0 9.819 2.047 -2.106 0.00 0.00 H+0
ATOM 30 H 0 8.606 1.201 -3.097 0.00 0.00 H+0
ATOM 31 H 0 8.130 -0.330 -1.206 0.00 0.00 H+0
ATOM 32 H 0 9.343 0.516 -0.215 0.00 0.00 H+0
ATOM 33 H 0 8.053 2.622 -0.435 0.00 0.00 H+0
ATOM 34 H 0 6.840 1.776 -1.426 0.00 0.00 H+0
ATOM 35 H 0 6.364 0.245 0.466 0.00 0.00 H+0
ATOM 36 H 0 7.577 1.091 1.456 0.00 0.00 H+0
ATOM 37 H 0 6.094 3.262 1.148 0.00 0.00 H+0
ATOM 38 H 0 3.813 2.596 1.429 0.00 0.00 H+0
ATOM 39 H 0 3.573 0.162 0.436 0.00 0.00 H+0
ATOM 40 H 0 5.133 -0.207 1.208 0.00 0.00 H+0
ATOM 41 H 0 3.950 0.334 3.514 0.00 0.00 H+0
ATOM 42 H 0 1.786 -0.687 3.444 0.00 0.00 H+0
ATOM 43 H 0 0.918 -0.531 0.956 0.00 0.00 H+0
ATOM 44 H 0 2.570 -0.962 0.451 0.00 0.00 H+0
ATOM 45 H 0 2.223 -3.235 1.754 0.00 0.00 H+0
ATOM 46 H 0 0.005 -3.998 1.277 0.00 0.00 H+0
ATOM 47 H 0 -1.528 -1.859 1.033 0.00 0.00 H+0
ATOM 48 H 0 -0.190 -1.122 0.119 0.00 0.00 H+0
ATOM 49 H 0 -0.491 -3.078 -1.630 0.00 0.00 H+0
ATOM 50 H 0 -2.841 -3.403 -1.943 0.00 0.00 H+0
ATOM 51 H 0 -4.002 -2.948 0.393 0.00 0.00 H+0
ATOM 52 H 0 -2.918 -1.544 0.544 0.00 0.00 H+0
ATOM 53 H 0 -3.903 -0.562 -1.508 0.00 0.00 H+0
ATOM 54 H 0 -4.987 -1.965 -1.660 0.00 0.00 H+0
ATOM 55 H 0 -5.983 -1.434 0.548 0.00 0.00 H+0
ATOM 56 H 0 -4.899 -0.030 0.700 0.00 0.00 H+0
ATOM 57 H 0 -7.459 0.806 0.812 0.00 0.00 H+0
ATOM 58 H 0 -7.788 2.436 -1.471 0.00 0.00 H+0
ATOM 59 H 0 -8.872 1.032 -1.622 0.00 0.00 H+0
ATOM 60 H 0 -10.082 2.865 -0.540 0.00 0.00 H+0
ATOM 61 H 0 -9.805 1.569 0.648 0.00 0.00 H+0
ATOM 62 H 0 -9.291 3.648 1.464 0.00 0.00 H+0
CONECT 1 2 26 27 28 NONE 67
CONECT 2 1 3 29 30 NONE 68
CONECT 3 2 4 31 32 NONE 69
CONECT 4 3 5 33 34 NONE 70
CONECT 5 4 6 35 36 NONE 71
CONECT 6 5 7 37 0 NONE 72
CONECT 7 6 8 38 0 NONE 73
CONECT 8 7 9 39 40 NONE 74
CONECT 9 8 10 41 0 NONE 75
CONECT 10 9 11 42 0 NONE 76
CONECT 11 10 12 43 44 NONE 77
CONECT 12 11 13 45 0 NONE 78
CONECT 13 12 14 46 0 NONE 79
CONECT 14 13 15 47 48 NONE 80
CONECT 15 14 16 49 0 NONE 81
CONECT 16 15 17 50 0 NONE 82
CONECT 17 16 18 51 52 NONE 83
CONECT 18 17 19 53 54 NONE 84
CONECT 19 18 20 55 56 NONE 85
CONECT 20 19 21 25 0 NONE 86
CONECT 21 20 22 57 0 NONE 87
CONECT 22 21 23 58 59 NONE 88
CONECT 23 22 24 60 61 NONE 89
CONECT 24 23 62 0 0 NONE 90
CONECT 25 20 0 0 0 NONE 91
END NONE 92
</inlineContents>
</jmolApplet>
</jmol>

It:Anandamide

2006-10-19T14:15:30Z

Smbc05:

File:Anandamide-struct.gif

2006-10-19T14:11:25Z

Smbc05:

It:Anandamide

2006-10-19T13:58:56Z

Smbc05:

== Anandamide ==

<jmol>
<jmolApplet>
<size>400</size>
<color>#FF69B4</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 C 0 10.383 0.053 -2.692 0.00 0.00 C+0
ATOM 2 C 0 9.332 1.090 -2.291 0.00 0.00 C+0
ATOM 3 C 0 8.617 0.627 -1.021 0.00 0.00 C+0
ATOM 4 C 0 7.566 1.665 -0.620 0.00 0.00 C+0
ATOM 5 C 0 6.851 1.202 0.651 0.00 0.00 C+0
ATOM 6 C 0 5.816 2.224 1.045 0.00 0.00 C+0
ATOM 7 C 0 4.578 1.853 1.262 0.00 0.00 C+0
ATOM 8 C 0 4.223 0.388 1.280 0.00 0.00 C+0
ATOM 9 C 0 3.509 0.060 2.566 0.00 0.00 C+0
ATOM 10 C 0 2.354 -0.557 2.535 0.00 0.00 C+0
ATOM 11 C 0 1.817 -1.084 1.229 0.00 0.00 C+0
ATOM 12 C 0 1.480 -2.546 1.379 0.00 0.00 C+0
ATOM 13 C 0 0.288 -2.980 1.053 0.00 0.00 C+0
ATOM 14 C 0 -0.688 -2.059 0.368 0.00 0.00 C+0
ATOM 15 C 0 -1.192 -2.711 -0.894 0.00 0.00 C+0
ATOM 16 C 0 -2.480 -2.834 -1.099 0.00 0.00 C+0
ATOM 17 C 0 -3.458 -2.180 -0.157 0.00 0.00 C+0
ATOM 18 C 0 -4.447 -1.330 -0.958 0.00 0.00 C+0
ATOM 19 C 0 -5.440 -0.666 -0.002 0.00 0.00 C+0
ATOM 20 C 0 -6.413 0.171 -0.791 0.00 0.00 C+0
ATOM 21 N 0 -7.385 0.854 -0.154 0.00 0.00 N+0
ATOM 22 C 0 -8.332 1.668 -0.921 0.00 0.00 C+0
ATOM 23 C 0 -9.325 2.332 0.036 0.00 0.00 C+0
ATOM 24 O 0 -8.631 3.253 0.879 0.00 0.00 O+0
ATOM 25 O 0 -6.322 0.231 -1.999 0.00 0.00 O+0
ATOM 26 H 0 11.109 -0.059 -1.886 0.00 0.00 H+0
ATOM 27 H 0 9.896 -0.905 -2.877 0.00 0.00 H+0
ATOM 28 H 0 10.893 0.382 -3.597 0.00 0.00 H+0
ATOM 29 H 0 9.819 2.047 -2.106 0.00 0.00 H+0
ATOM 30 H 0 8.606 1.201 -3.097 0.00 0.00 H+0
ATOM 31 H 0 8.130 -0.330 -1.206 0.00 0.00 H+0
ATOM 32 H 0 9.343 0.516 -0.215 0.00 0.00 H+0
ATOM 33 H 0 8.053 2.622 -0.435 0.00 0.00 H+0
ATOM 34 H 0 6.840 1.776 -1.426 0.00 0.00 H+0
ATOM 35 H 0 6.364 0.245 0.466 0.00 0.00 H+0
ATOM 36 H 0 7.577 1.091 1.456 0.00 0.00 H+0
ATOM 37 H 0 6.094 3.262 1.148 0.00 0.00 H+0
ATOM 38 H 0 3.813 2.596 1.429 0.00 0.00 H+0
ATOM 39 H 0 3.573 0.162 0.436 0.00 0.00 H+0
ATOM 40 H 0 5.133 -0.207 1.208 0.00 0.00 H+0
ATOM 41 H 0 3.950 0.334 3.514 0.00 0.00 H+0
ATOM 42 H 0 1.786 -0.687 3.444 0.00 0.00 H+0
ATOM 43 H 0 0.918 -0.531 0.956 0.00 0.00 H+0
ATOM 44 H 0 2.570 -0.962 0.451 0.00 0.00 H+0
ATOM 45 H 0 2.223 -3.235 1.754 0.00 0.00 H+0
ATOM 46 H 0 0.005 -3.998 1.277 0.00 0.00 H+0
ATOM 47 H 0 -1.528 -1.859 1.033 0.00 0.00 H+0
ATOM 48 H 0 -0.190 -1.122 0.119 0.00 0.00 H+0
ATOM 49 H 0 -0.491 -3.078 -1.630 0.00 0.00 H+0
ATOM 50 H 0 -2.841 -3.403 -1.943 0.00 0.00 H+0
ATOM 51 H 0 -4.002 -2.948 0.393 0.00 0.00 H+0
ATOM 52 H 0 -2.918 -1.544 0.544 0.00 0.00 H+0
ATOM 53 H 0 -3.903 -0.562 -1.508 0.00 0.00 H+0
ATOM 54 H 0 -4.987 -1.965 -1.660 0.00 0.00 H+0
ATOM 55 H 0 -5.983 -1.434 0.548 0.00 0.00 H+0
ATOM 56 H 0 -4.899 -0.030 0.700 0.00 0.00 H+0
ATOM 57 H 0 -7.459 0.806 0.812 0.00 0.00 H+0
ATOM 58 H 0 -7.788 2.436 -1.471 0.00 0.00 H+0
ATOM 59 H 0 -8.872 1.032 -1.622 0.00 0.00 H+0
ATOM 60 H 0 -10.082 2.865 -0.540 0.00 0.00 H+0
ATOM 61 H 0 -9.805 1.569 0.648 0.00 0.00 H+0
ATOM 62 H 0 -9.291 3.648 1.464 0.00 0.00 H+0
CONECT 1 2 26 27 28 NONE 67
CONECT 2 1 3 29 30 NONE 68
CONECT 3 2 4 31 32 NONE 69
CONECT 4 3 5 33 34 NONE 70
CONECT 5 4 6 35 36 NONE 71
CONECT 6 5 7 37 0 NONE 72
CONECT 7 6 8 38 0 NONE 73
CONECT 8 7 9 39 40 NONE 74
CONECT 9 8 10 41 0 NONE 75
CONECT 10 9 11 42 0 NONE 76
CONECT 11 10 12 43 44 NONE 77
CONECT 12 11 13 45 0 NONE 78
CONECT 13 12 14 46 0 NONE 79
CONECT 14 13 15 47 48 NONE 80
CONECT 15 14 16 49 0 NONE 81
CONECT 16 15 17 50 0 NONE 82
CONECT 17 16 18 51 52 NONE 83
CONECT 18 17 19 53 54 NONE 84
CONECT 19 18 20 55 56 NONE 85
CONECT 20 19 21 25 0 NONE 86
CONECT 21 20 22 57 0 NONE 87
CONECT 22 21 23 58 59 NONE 88
CONECT 23 22 24 60 61 NONE 89
CONECT 24 23 62 0 0 NONE 90
CONECT 25 20 0 0 0 NONE 91
END NONE 92
</inlineContents>
</jmolApplet>
</jmol>

You can also edit e.g. the size of the window showing the molecule, the background colour, the display mode (e.g. to spacefi

It:Anandamide

2006-10-19T13:43:09Z

Smbc05:

<jmol>
<jmolApplet>
<size>400</size>
<color>#FF69B4</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 C 0 10.383 0.053 -2.692 0.00 0.00 C+0
ATOM 2 C 0 9.332 1.090 -2.291 0.00 0.00 C+0
ATOM 3 C 0 8.617 0.627 -1.021 0.00 0.00 C+0
ATOM 4 C 0 7.566 1.665 -0.620 0.00 0.00 C+0
ATOM 5 C 0 6.851 1.202 0.651 0.00 0.00 C+0
ATOM 6 C 0 5.816 2.224 1.045 0.00 0.00 C+0
ATOM 7 C 0 4.578 1.853 1.262 0.00 0.00 C+0
ATOM 8 C 0 4.223 0.388 1.280 0.00 0.00 C+0
ATOM 9 C 0 3.509 0.060 2.566 0.00 0.00 C+0
ATOM 10 C 0 2.354 -0.557 2.535 0.00 0.00 C+0
ATOM 11 C 0 1.817 -1.084 1.229 0.00 0.00 C+0
ATOM 12 C 0 1.480 -2.546 1.379 0.00 0.00 C+0
ATOM 13 C 0 0.288 -2.980 1.053 0.00 0.00 C+0
ATOM 14 C 0 -0.688 -2.059 0.368 0.00 0.00 C+0
ATOM 15 C 0 -1.192 -2.711 -0.894 0.00 0.00 C+0
ATOM 16 C 0 -2.480 -2.834 -1.099 0.00 0.00 C+0
ATOM 17 C 0 -3.458 -2.180 -0.157 0.00 0.00 C+0
ATOM 18 C 0 -4.447 -1.330 -0.958 0.00 0.00 C+0
ATOM 19 C 0 -5.440 -0.666 -0.002 0.00 0.00 C+0
ATOM 20 C 0 -6.413 0.171 -0.791 0.00 0.00 C+0
ATOM 21 N 0 -7.385 0.854 -0.154 0.00 0.00 N+0
ATOM 22 C 0 -8.332 1.668 -0.921 0.00 0.00 C+0
ATOM 23 C 0 -9.325 2.332 0.036 0.00 0.00 C+0
ATOM 24 O 0 -8.631 3.253 0.879 0.00 0.00 O+0
ATOM 25 O 0 -6.322 0.231 -1.999 0.00 0.00 O+0
ATOM 26 H 0 11.109 -0.059 -1.886 0.00 0.00 H+0
ATOM 27 H 0 9.896 -0.905 -2.877 0.00 0.00 H+0
ATOM 28 H 0 10.893 0.382 -3.597 0.00 0.00 H+0
ATOM 29 H 0 9.819 2.047 -2.106 0.00 0.00 H+0
ATOM 30 H 0 8.606 1.201 -3.097 0.00 0.00 H+0
ATOM 31 H 0 8.130 -0.330 -1.206 0.00 0.00 H+0
ATOM 32 H 0 9.343 0.516 -0.215 0.00 0.00 H+0
ATOM 33 H 0 8.053 2.622 -0.435 0.00 0.00 H+0
ATOM 34 H 0 6.840 1.776 -1.426 0.00 0.00 H+0
ATOM 35 H 0 6.364 0.245 0.466 0.00 0.00 H+0
ATOM 36 H 0 7.577 1.091 1.456 0.00 0.00 H+0
ATOM 37 H 0 6.094 3.262 1.148 0.00 0.00 H+0
ATOM 38 H 0 3.813 2.596 1.429 0.00 0.00 H+0
ATOM 39 H 0 3.573 0.162 0.436 0.00 0.00 H+0
ATOM 40 H 0 5.133 -0.207 1.208 0.00 0.00 H+0
ATOM 41 H 0 3.950 0.334 3.514 0.00 0.00 H+0
ATOM 42 H 0 1.786 -0.687 3.444 0.00 0.00 H+0
ATOM 43 H 0 0.918 -0.531 0.956 0.00 0.00 H+0
ATOM 44 H 0 2.570 -0.962 0.451 0.00 0.00 H+0
ATOM 45 H 0 2.223 -3.235 1.754 0.00 0.00 H+0
ATOM 46 H 0 0.005 -3.998 1.277 0.00 0.00 H+0
ATOM 47 H 0 -1.528 -1.859 1.033 0.00 0.00 H+0
ATOM 48 H 0 -0.190 -1.122 0.119 0.00 0.00 H+0
ATOM 49 H 0 -0.491 -3.078 -1.630 0.00 0.00 H+0
ATOM 50 H 0 -2.841 -3.403 -1.943 0.00 0.00 H+0
ATOM 51 H 0 -4.002 -2.948 0.393 0.00 0.00 H+0
ATOM 52 H 0 -2.918 -1.544 0.544 0.00 0.00 H+0
ATOM 53 H 0 -3.903 -0.562 -1.508 0.00 0.00 H+0
ATOM 54 H 0 -4.987 -1.965 -1.660 0.00 0.00 H+0
ATOM 55 H 0 -5.983 -1.434 0.548 0.00 0.00 H+0
ATOM 56 H 0 -4.899 -0.030 0.700 0.00 0.00 H+0
ATOM 57 H 0 -7.459 0.806 0.812 0.00 0.00 H+0
ATOM 58 H 0 -7.788 2.436 -1.471 0.00 0.00 H+0
ATOM 59 H 0 -8.872 1.032 -1.622 0.00 0.00 H+0
ATOM 60 H 0 -10.082 2.865 -0.540 0.00 0.00 H+0
ATOM 61 H 0 -9.805 1.569 0.648 0.00 0.00 H+0
ATOM 62 H 0 -9.291 3.648 1.464 0.00 0.00 H+0
CONECT 1 2 26 27 28 NONE 67
CONECT 2 1 3 29 30 NONE 68
CONECT 3 2 4 31 32 NONE 69
CONECT 4 3 5 33 34 NONE 70
CONECT 5 4 6 35 36 NONE 71
CONECT 6 5 7 37 0 NONE 72
CONECT 7 6 8 38 0 NONE 73
CONECT 8 7 9 39 40 NONE 74
CONECT 9 8 10 41 0 NONE 75
CONECT 10 9 11 42 0 NONE 76
CONECT 11 10 12 43 44 NONE 77
CONECT 12 11 13 45 0 NONE 78
CONECT 13 12 14 46 0 NONE 79
CONECT 14 13 15 47 48 NONE 80
CONECT 15 14 16 49 0 NONE 81
CONECT 16 15 17 50 0 NONE 82
CONECT 17 16 18 51 52 NONE 83
CONECT 18 17 19 53 54 NONE 84
CONECT 19 18 20 55 56 NONE 85
CONECT 20 19 21 25 0 NONE 86
CONECT 21 20 22 57 0 NONE 87
CONECT 22 21 23 58 59 NONE 88
CONECT 23 22 24 60 61 NONE 89
CONECT 24 23 62 0 0 NONE 90
CONECT 25 20 0 0 0 NONE 91
END NONE 92
</inlineContents>
</jmolApplet>
</jmol>

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