Table 3.
Parameters characterizing the chemical mechanisms associated with the Cd1–Cd7/Iod systems in acetonitrile.
| Eox (eV) 1 | ES1 (eV) | ΔGetS1 (eV) | ET1 (eV) 2 | ΔGetT1 2 (eV) | Φet (S1) | |
|---|---|---|---|---|---|---|
| Cd1 | 0.92 | 3.17 | −2.05 | 1.97 | −0.85 | 0.34 |
| Cd2 | 1.06 | 3.5 | −2.22 | 1.99 | −0.73 | 0.5 |
| Cd3 | 0.97 | 3.2 | −2.02 | 1.97 | −0.81 | 0.41 |
| Cd4 | 0.96 | 3.35 | −2.19 | 1.99 | −0.83 | 0.5 |
| Cd5 | 0.99 | 3.25 | −2.06 | 1.97 | −0.79 | |
| Cd6 | 1.49 | 3.5 | −1.81 | 3.04 | −1.36 | |
| Cd7 | 0.98 | 3.13 | −1.95 | 1.89 | −0.72 | 0.43 |
1 Oxidation potentials for Cd1–Cd7 (this work); 2 from molecular orbital calculations (uB3LYP/6-31G* level of theory).