Molecule | state | λmax | f | ∆E (eV) | electronic transition |
HL1 | 5 | 251.4 | 0.024 | 4.933 | P → H (HOMO → LUMO) 61% (HOMO − 1 → LUMO + 1) 38% |
HL1-Pd | 6 | 314.2 | 0.217 | 3.946 | P → H (HOMO → LUMO) 90% (HOMO − 1 → LUMO + 1) 8% |
HL1-Pt | 5 | 332.9 | 0.176 | 3.724 | P → H (HOMO → LUMO) 76% (HOMO − 1 → LUMO + 1) 22% |
HL1-Zn | 4 | 271.2 | 0.594 | 4.572 | P → H (HOMO → LUMO) 84% (HOMO − 1 → LUMO + 1) 11% |
HL2 | 4 | 297.6 | 1.064 | 4.166 | P → H (HOMO → LUMO) 93% |
HL2-Pd | 6 | 398.4 | 0.061 | 3.112 | P → H (HOMO → LUMO) 78% (HOMO − 1 → LUMO + 1) 21 |
HL2-Pt | 5 | 418.2 | 0.071 | 2.965 | P → H (HOMO → LUMO) 94% |
HL2-Zn | 6 | 281.8 | 0.415 | 4.400 | P → H (HOMO → LUMO) 80% (HOMO − 1 → LUMO + 1) 17 |