Table 5. Relative Energies of (E,E), (E,Z), and (Z,Z) Isomers of the Dienones 1a–f in the S1 State.
| dienone | (E,E) | (E,Z) | (Z,Z) |
|---|---|---|---|
| 1a | 0.00 | –6.00 | –1.44 |
| 1b | 0.00 | –4.86 | –0.96 |
| 1c | 0.00 | –2.22 | 0.92 |
| 1d | 0.00 | –6.98 | –1.66 |
| 1e | 0.00 | 5.39 | 6.15 |
| 1f | 0.00 | 5.45 | 6.15 |
| dienone | (E,E) | (E,Z) | (Z,Z) |
|---|---|---|---|
| 1a | 0.00 | –6.00 | –1.44 |
| 1b | 0.00 | –4.86 | –0.96 |
| 1c | 0.00 | –2.22 | 0.92 |
| 1d | 0.00 | –6.98 | –1.66 |
| 1e | 0.00 | 5.39 | 6.15 |
| 1f | 0.00 | 5.45 | 6.15 |