. 2022 Jul 21;61(30):12033–12042. doi: 10.1021/acs.inorgchem.2c02039

Table 3. Electrochemical Data^a and HOMO/LUMO Energy Estimations^b for Complexes 4a–e.

complex	E_p,a^c	E_p,c^d	E_1/2^e	E_HOMO	E_LUMO	ΔE_HOMO-LUMO
4a	2.11	–1.92, −2.17	–2.04, −2.46	–6.63	–2.90	3.73
4b	1.89	–1.99, −2.23	–2.08, −2.35, −2.52	–6.46	–2.82	3.64
4c	1.79	–1.99	–2.16, −2.34, −2.55	–6.37	–2.81	3.56
4d	1.68	–1.92, −2.03, −2.29	–2.48	–6.28	–2.86	3.42
4e	1.58, 1.94		–1.88, −2.07, −2.27, −2.39	–6.18	–2.88	3.30

In V vs SCE, registered in a 0.1 M solution of (Bu₄N)PF₆ in dry MeCN at 100 mV s^–1.

In eV.

Irreversible anodic peak potentials.

Irreversible cathodic peak potentials.

For the reversible waves.

Table 3. Electrochemical Dataa and HOMO/LUMO Energy Estimationsb for Complexes 4a–e.