User contributions for Llt15

24 October 2017

• 15:3215:32, 24 October 2017 diff hist −1 Rep:Llt15 TS 3 →Exercise 3: Diels-Alder vs Cheletropic
• 15:3015:30, 24 October 2017 diff hist +121 Rep:Llt15 TS 3 →Conclusion:
• 15:2715:27, 24 October 2017 diff hist −8 Rep:Llt15 TS 3 →Exercise 3: Diels-Alder vs Cheletropic
• 15:2615:26, 24 October 2017 diff hist +191 Rep:Llt15 TS 3 →Exercise 3: Diels-Alder vs Cheletropic
• 15:2015:20, 24 October 2017 diff hist +416 Rep:Llt15 TS 2 →Exercise 2: Cycloaddition of Cyclohexadiene and 1,3-Dioxole
• 15:0815:08, 24 October 2017 diff hist −1 Rep:Llt15 TS →Correlate these MOs with the ones in your MO diagram to show which orbitals interact. What can you conclude about the requirements for symmetry for a reaction (when is a reaction 'allowed' and when is it 'forbidden')?
• 15:0515:05, 24 October 2017 diff hist +4 Rep:Llt15 TS 2 →Exercise 2: Cycloaddition of Cyclohexadiene and 1,3-Dioxole
• 15:0315:03, 24 October 2017 diff hist 0 N File:MO endo q2 energy 631G llt15 new.png No edit summary current
• 15:0215:02, 24 October 2017 diff hist +4 Rep:Llt15 TS →Correlate these MOs with the ones in your MO diagram to show which orbitals interact. What can you conclude about the requirements for symmetry for a reaction (when is a reaction 'allowed' and when is it 'forbidden')?
• 15:0015:00, 24 October 2017 diff hist 0 N File:Q1 MO corrected llt15 new.png No edit summary current
• 14:5814:58, 24 October 2017 diff hist 0 File:MO endo q2 energy 631G llt15.png Llt15 uploaded a new version of File:MO endo q2 energy 631G llt15.png current
• 14:4614:46, 24 October 2017 diff hist +5 Rep:Llt15 TS →Transition States and Reactivity
• 14:4114:41, 24 October 2017 diff hist 0 File:Q1 MO corrected llt15.png Llt15 uploaded a new version of File:Q1 MO corrected llt15.png current

23 October 2017

• 15:2815:28, 23 October 2017 diff hist +32 Rep:Llt15 TS →Transition States and Reactivity
• 15:2315:23, 23 October 2017 diff hist +896 Rep:Llt15 TS →Transition States and Reactivity
• 15:1615:16, 23 October 2017 diff hist 0 N File:Thermo vs kinetic llt15 intro.PNG No edit summary current
• 15:0115:01, 23 October 2017 diff hist 0 N File:Thermo vs kinetic llt15.PNG No edit summary current
• 13:0413:04, 23 October 2017 diff hist −25 Rep:Llt15 TS 2 /* Tabulate the energies and determine the reaction barriers and reaction energies (in kJ/mol) at room temperature. Which are the kinetically and thermodynamically favourable products?Look at the HOMO of the TSs. Are there any secondary orbital interac...
• 13:0313:03, 23 October 2017 diff hist −112 Rep:Llt15 TS 3 /* Visualise the reaction coordinate with an IRC calculation for each path. Include a .gif file in the wiki of these IRCs.Xylylene is highly unstable. Look at the IRCs for the reactions - what happens to the bonding of the 6-membered ring during the co...

22 October 2017

• 16:2716:27, 22 October 2017 diff hist +9 Rep:Llt15 TS 2 →Exercise 2: Cycloaddition of Cyclohexadiene and 1,3-Dioxole
• 16:0816:08, 22 October 2017 diff hist +31 Rep:Llt15 TS 3 →Conclusion:
• 16:0616:06, 22 October 2017 diff hist +24 Rep:Llt15 TS 3 →Exercise 3: Diels-Alder vs Cheletropic
• 15:4815:48, 22 October 2017 diff hist −213 Rep:Llt15 TS →Transition States and Reactivity
• 15:1315:13, 22 October 2017 diff hist +2 Rep:Llt15 TS →What are typical sp3 and sp2 C-C bond lengths? What is the Van der Waals radius of the C atom? How does this compare with the length of the partly formed C-C bonds in the TS.
• 15:1115:11, 22 October 2017 diff hist +12 Rep:Llt15 TS No edit summary
• 15:0515:05, 22 October 2017 diff hist +7 Rep:Llt15 TS →Transition States and Reactivity
• 15:0415:04, 22 October 2017 diff hist +41 Rep:Llt15 TS 3 →Conclusion:
• 15:0115:01, 22 October 2017 diff hist +25 Rep:Llt15 TS 2 →Is this a normal or inverse demand DA reaction?
• 14:4714:47, 22 October 2017 diff hist +160 Rep:Llt15 TS 3 →Additional Information
• 14:4514:45, 22 October 2017 diff hist +88 Rep:Llt15 TS →Exercise 1: Cycloaddition of Butadiene and Ethylene
• 14:4014:40, 22 October 2017 diff hist +1 Rep:Llt15 TS 3 →Practice 3: Diels-Alder vs Cheletropic
• 14:3114:31, 22 October 2017 diff hist +9 Rep:Llt15 TS 3 →Conclusion:
• 14:2214:22, 22 October 2017 diff hist +27 Rep:Llt15 TS →Introduction

21 October 2017

• 22:0722:07, 21 October 2017 diff hist +860 Rep:Llt15 TS 3 →Practice 3: Diels-Alder vs Cheletropic
• 21:5721:57, 21 October 2017 diff hist +110 Rep:Llt15 TS →What are typical sp3 and sp2 C-C bond lengths? What is the Van der Waals radius of the C atom? How does this compare with the length of the partly formed C-C bonds in the TS.
• 21:5521:55, 21 October 2017 diff hist 0 N File:Benzene q3 llt15.png No edit summary current
• 21:5121:51, 21 October 2017 diff hist +272 Rep:Llt15 TS 3 /* Visualise the reaction coordinate with an IRC calculation for each path. Include a .gif file in the wiki of these IRCs.Xylylene is highly unstable. Look at the IRCs for the reactions - what happens to the bonding of the 6-membered ring during the co...
• 21:3121:31, 21 October 2017 diff hist +4,341 Rep:Llt15 TS 3 →Practice 3: Diels-Alder vs Cheletropic
• 21:3121:31, 21 October 2017 diff hist 0 N File:CHE Q3 LLT15 PM6 IRC.LOG No edit summary current
• 21:2921:29, 21 October 2017 diff hist 0 N File:DA Q3 LLT15 PM6 IRC ENDO.LOG No edit summary current
• 21:2821:28, 21 October 2017 diff hist 0 N File:DA Q3 LLT15 PM6 EXO IRC REDO2.LOG No edit summary current
• 21:2621:26, 21 October 2017 diff hist −31 Rep:Llt15 TS 2 →References
• 21:2621:26, 21 October 2017 diff hist −1 Rep:Llt15 TS 2 →Additional information
• 21:1821:18, 21 October 2017 diff hist +32 Rep:Llt15 TS 2 →Exercise 2: Cycloaddition of Cyclohexadiene and 1,3-Dioxole
• 19:1219:12, 21 October 2017 diff hist −76 Rep:Llt15 TS →Transition States and Reactivity
• 19:0019:00, 21 October 2017 diff hist +65 Rep:Llt15 TS →What are typical sp3 and sp2 C-C bond lengths? What is the Van der Waals radius of the C atom? How does this compare with the length of the partly formed C-C bonds in the TS.
• 18:5518:55, 21 October 2017 diff hist 0 Rep:Llt15 TS →Transition States and Reactivity
• 14:5914:59, 21 October 2017 diff hist +634 Rep:Llt15 TS 3 →Practice 3: Diels-Alder vs Cheletropic
• 14:5614:56, 21 October 2017 diff hist +39 Rep:Llt15 TS 2 →Exercise 2: Cycloaddition of Cyclohexadiene and 1,3-Dioxole
• 14:5214:52, 21 October 2017 diff hist +10 Rep:Llt15 TS →Transition States and Reactivity