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Calculated molecular λe, λh, and η (all in eV) of 1–8 at the PBE0/6-31G(d,p) level.
| Species | λh | λe | η |
|---|---|---|---|
| 1 | 0.054 | 0.134 | 1.725 |
| 2 | 0.058 | 0.112 | 1.532 |
| 3 | 0.046 | 0.209 | 1.567 |
| 4 | 0.090 | 0.135 | 1.692 |
| 5 | 0.051 | 0.138 | 1.655 |
| 6 | 0.107 | 0.091 | 1.506 |
| 7 | 0.129 | 0.122 | 1.357 |
| 8 | 0.128 | 0.128 | 1.633 |
