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

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
a

bpy: 2,2′-bpy; deeb:4,4′-bis(ethoxycarbonyl)-2,2′-bpy.