Skip to main content
. 2021 Nov 18;11(59):37181–37193. doi: 10.1039/d1ra05737e

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*)
a

bpy: 2,2′-bpy.