Compound | E1/2 (ox1) (V)a
| E1/2 (ox2) (V)a
| E1/2 (red1) (V)a
| EHOMO (eV)b
| ELUMO (eV)b
| ΔE (eV)c
|
---|
2
| 0.32 | 0.76 | −0.76 | −4.72 | −3.64 | 1.08 |
3
| 0.27 | 0.71 | −0.76 | −4.67 | −3.64 | 1.03 |
4
| 0.24 | 0.68 | −0.74 | −4.64 | −3.66 | 0.98 |
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aE1/2 (ox1), E1/2 (ox2), E1/2 (red1) are half-wave potentials of the first (second) oxidation (reduction) measured by RDV
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bEHOMO/LUMO = −[E1/2 (ox1/red1) + 4.4] eV. All potentials are given vs. SCE
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cΔE = E1/2 (ox1) − E1/2 (red1), electrochemical gap