Third Year TS and Reactivity Lab: Hexadiene Conformers
From ChemWiki
Appendix 1
| Conformer | Structure | G (kJmol-1 PM6) | Relative G (kJmol-1 PM6) | |
| Anti 1 |
|
energy | 3.10 | |
| Anti 2 |
|
energy | 3.10 | |
| Anti 3 |
|
energy | 3.10 | |
| Anti 4 |
|
energy | 3.10 | |
| gauche5 |
|
C1 | -231.68962 | 1.91 |
| gauche6 |
|
C1 | -231.68916 | 2.20 |
| anti1 |
|
C2 | -231.69260 | 0.04 |
| anti2 |
|
Ci | -231.69254 | 0.08 |
| anti3 |
|
C2h | -231.68907 | 2.25 |
| anti4 |
|
C1 | -231.69097 | 1.06 |
