Table 1. Electrochemical data of selected complexes.
E pa a (V) | E red 1/2 a (V) | HOMO b (eV) | LUMO b (eV) | |
Pd-N-1 | 0.53 | –2.47 | –5.33 | –2.33 |
Pd-B-1 | 0.81 | –2.54 | –5.61 | –2.26 |
Pd-B-2 | 0.73 | –2.44 | –5.53 | –2.36 |
Pd-B-4 | 0.81 | –2.16 | –5.61 | –2.64 |
Pd-G-1 | 0.53 | –2.24 | –5.33 | –2.56 |
Pd-G-2 | 0.59 | –2.21 | –5.39 | –2.59 |
aDetermined in DMF at 298 K with 0.1 mol dm–3 nBu4NPF6 as the supporting electrolyte. Scan rate: 100 mV s–1. Values are versus Cp2Fe+/0. Cp2Fe+/0 occurs at 0.06–0.08 V versus Ag/AgNO3 (0.1 mol dm–3 in CH3CN) reference electrode.
bEstimated from Epa/E1/2 using a Cp2Fe+/0 value of 4.8 eV below the vacuum level.