Calculated emission wavelengths (λ), emission lifetimes (τr), ZFS (cm−1) and dominant emission character of R1 to R10.
| Complex | λ (nm) | τ r (s) | ZFS (cm−1) | Transition | Assignmenta |
|---|---|---|---|---|---|
| R1 | 643 | 5.04 × 10−2 | 0.08 | L+1 → H | LLCT |
| R2 | 654 | 7.40 × 10−2 | 0.08 | L+1 → H | LLCT |
| R3 | 869 | 2.76 × 10−1 | 0.00 | L+1 → H | LLCT |
| 540 | 4.36 × 10−4 | 7.90 | L → H (T2) | LbpyLCT | |
| R4 | 673 | 5.59 × 10−2 | 0.00 | L+1 → H | LLCT |
| R5 | 625 | 1.36 × 10−3 | 13.87 | L+1 → H | LdeebLCT |
| R6 | 625 | 3.15 × 10−3 | 0.40 | L+1 → H | LLCT |
| L+2 → H | LdeebLCT | ||||
| R7 | 726 | 3.64 × 10−2 | 0.40 | L+1 → H | LLCT |
| 641 | 3.33 × 10−3 | 12.14 | L → H (T2) | LdeebLCT | |
| R8 | 622 | 2.23 × 10−2 | 1.05 | L+1 → H | LLCT |
| L+2 → H | LdeebLCT | ||||
| R9 | 771 | 8.90 × 10−2 | 0.16 | L+1 → H | LLCT |
| 649 | 9.77 × 10−4 | 7.78 | L → H (T2) | LdeebLCT | |
| R10 | 637 | 2.53 × 10−2 | 0.08 | L+1 → H | LLCT |
| L+2 → H | LdeebLCT |
bpy: 2,2′-bpy; deeb:4,4′-bis(ethoxycarbonyl)-2,2′-bpy.