Table 3.

Experimental redox potentials for complexes 1–4^a determined by cyclic voltammetry and calculated theoretical values by DFT calculations

	EA/eV	ΔG°solv/eVb	E°calc/V (vs. NHE)	E°0 → −1,expt/V (vs. NHE)	E°−1 → −2,expt/V (vs. NHE)
1	−2.04	−1.06	−1.18	−0.76	−1.44
2	−2.05	−1.24	−0.98	−0.80	−1.41
3	−2.28	−1.05	−0.95	−0.59	Not observed
4	−2.11	−1.32	−0.85	−0.51	Not observed

^aCondition: 0.2 mmol dm⁻³ CH₂ Cl₂ solution at ambient temperature, 0.1 mol dm⁻³ [Bu₄ N][PF₆ ], scan rate of 100 mV s⁻¹, platinum working electrode.

^bΔG°_solv = ΔG°_solv (III) − ΔG°_solv (II).