Calculated wavelengths (nm), oscillator strengths (f) and corresponding transition and assignment for selected R1 to R4 complexesa.
| Complex | λ (nm) | f | Transition | Assignment* |
|---|---|---|---|---|
| R1 | 394 | 0.4434 | H → L+1 (96%) | LLCT/MLCT(π → π*/d → π*) |
| 312 | 0.4878 | H−6 → L (51%) | LbpyLbpyCT(π → π*) | |
| 270 | 0.3378 | H−1 → L+4 (36%) | LLCT/MLCT(π → π*/d → π*) | |
| H−2 → L+5 (13%) | MLCT(d → π*) | |||
| R2 | 393 | 0.4774 | H → L+1 (97%) | LLCT/MLCT(π → π*/d → π*) |
| 311 | 0.3654 | H−6 → L (65%) | LbpyLbpyCT(π → π*) | |
| 280 | 0.4279 | H−5 → L+1 (77%) | LLCT/MLCT(π → π*/d → π*) | |
| R3 | 396 | 0.4003 | H → L+1 (95%) | LLCT/MLCT(π → π*/d → π*) |
| 279 | 0.2794 | H−7 → L+1 (52%) | LLCT(π → π*) | |
| 278 | 0.5497 | H−5 → L+1 (40%) | LLCT/MLCT(π → π*/d → π*) | |
| R4 | 398 | 0.3026 | H → L+1 (72%) | LLCT/MLCT(π → π*/d → π*) |
| 310 | 0.3191 | H → L+3 (41%) | LLbpyCT/MLbpyCT(π → π*/d → π*) | |
| H−6 → L (41%) | LbpyLbpyCT(π → π*) | |||
| 280 | 0.4969 | H−5 → L+1 (58%) | LLCT/MLCT(π → π*/d → π*) |
bpy: 2,2′-bpy.