. 2022 Mar 14;7(12):10087–10099. doi: 10.1021/acsomega.1c06129

Table 3. Electrochemical Potentials of Compounds 1a–f (C = 1 × 10^–4 mol L^–1) in MeCN Measured by CV Relative to Ag/AgCl/KCl (sat.) in the Presence of 0.1 M Bu₄NClO₄ on a GC Electrode (Potential Sweep Rate of 200 mV s^–1) and Frontier Orbital Energies Calculated by Quantum Chemistry.

	R¹, R²	E_red, V	EA, eV	ΔE_red, mV (ΔEA)^a	E_ox, V	IP, eV	ΔE_ox, mV (ΔIP)^b	ΔE = E_ox – E_red, V	EA–IP, eV
1a	H, H	–1.38	2.642	0	2.02	6.291	0	3.40	3.649
1b	OMe, H	–1.51	2.513	130 (129)	1.52	5.840	500 (451)	3.03	3.327
1c	SMe, H	–1.39	2.618	10 (24)	1.33	5.724	690 (567)	2.72	3.106
1d	OMe, OMe	–1.46	2.524	80 (118)	1.53	5.695	490 (596)	2.99	3.171
1e	NMe2, H	–1.63	2.316	250 (326)	0.87	5.098	1150 (1193)	2.50	2.782
1f	NEt2, H	–1.64	2.304	260 (338)	0.86	5.059	1160 (1232)	2.50	2.755

Shift of the reduction potentials relative to those of 1a.

Shift of the oxidation potentials relative to those of 1a.

Table 3. Electrochemical Potentials of Compounds 1a–f (C = 1 × 10–4 mol L–1) in MeCN Measured by CV Relative to Ag/AgCl/KCl (sat.) in the Presence of 0.1 M Bu4NClO4 on a GC Electrode (Potential Sweep Rate of 200 mV s–1) and Frontier Orbital Energies Calculated by Quantum Chemistry.