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. 2024 Oct 29;14(46):34288–34297. doi: 10.1039/d4ra04535a

Electrochemical results for complexes 1–4 and co-complexes 1–4·5.

System E ox a (V) E red a (V) ΔEa (V) (com)E0–0b (eV) E 0–0 c (eV) E(PS*/PS)d (V) E(PS*/PS+)e (V)
1 1.17 −1.51 2.68 3.16 2.81 1.30 −1.64
1·5 (1 : 1) 1.27 −1.50 2.77 3.26 2.84 1.34 −1.57
2 0.82 −1.49 2.31 2.95 2.58 1.09 −1.76
2·5 (1 : 1) 0.85 −1.51 2.36 3.07 2.59 1.08 −1.74
3 0.67 −1.52 2.19 2.83 2.36 0.84 −1.69
3·5 (1 : 1) 0.71 −1.50 2.21 2.96 2.39 0.89 −1.68
4 0.54 −1.51 2.05 2.79 2.26 0.75 −1.72
4·5 (1 : 1) 0.61 −1.48 2.09 2.84 2.28 0.80 −1.67
a

All samples were prepped and studied in an argon flushed glove box in degassed, dry CHCl3. Further details of electrodes and apparatus can be found in ESI S1.

b

(com)E0–0 calculated from the computationally obtained HOMO–LUMO gap.

c

E 0–0 was calculated from the crossover of normalised absorption and emission spectra.

d

E(PS*/PS) = Ered + E0–0.

e

E(PS*/PS+) = EoxE0–0.