Table 1.
Dye | λmax/nm | ε/M-1 cm-1 | E0-0/eVa | ERed/Vb | ELUMO/V vs. NHEc | ELUMO/eVd | EHOMO/V vs. NHEe | EHOMO/eVf |
---|---|---|---|---|---|---|---|---|
[Ru]1 | 602 | 12 500 | 1.58 | – 0.99 | – 0.46 | – 4.11 | + 1.12 | – 5.69 |
340 | 20 100 | |||||||
[Ru]2 | 598 | 11 500 | 1.53 | – 0.89 | – 0.36 | – 4.21 | + 1.17 | – 5.74 |
350 | 41 000 |
Absorption spectra and cyclic voltammograms recorded in CH2Cl2.
0-0 transition energy estimated from the onset of the absorption spectra.
Reduction potential in V vs. Fc+/Fc.
Estimated LUMO level in V vs. NHE, obtained from the reduction potential considering E0(Fc+/Fc) = + 0.53 vs. NHE.[15,25]
Estimated LUMO energy in eV, considering E0(Fc+/Fc) = – 5.1 eV.[26]
Estimated HOMO level in V vs. NHE, obtained from ELUMO+E0-0.
Estimated HOMO energy in eV, obtained from ELUMO–E0-0.