Computed spin–orbit coupling constants between singlet and triplet excited states and norm of derivative couplings between triplet excited states for 6–8.
| Compound | ΔEST/eV | ΔET1–T2/eV | SOCS1–T1/cm−1 | SOCS1–T2/cm−1 | DCT1–T2/bohr−1 |
|---|---|---|---|---|---|
| 6 | 0.25 | 0.02 | 0.44 | 0.23 | 29.1 |
| 7 | 0.46 | 0.34 | 0.42 | 0.46 | 1.2 |
| 8 | 0.13 | 0.06 | 0.45 | 0.56 | 1.0 |