Table 4.

Gibbs free energy changes of the charge separation (ΔG_CS) and energy of charge separation states (E_CS) of the compounds in different solvents.^a

Compounds	ΔGCS (eV)				ECS (eV)
	HEX	TOL	DCM	ACN	HEX	TOL	DCM	ACN
NI-PTZ-F b	−0.23	−0.39	−0.83	−0.95	2.38	2.22	1.78	1.66
NI-PTZ-Ph c	−0.26	−0.42	−0.86	−0.98	2.35	2.19	1.75	1.63
NI-PTZ-CH 3 d	−0.29	−0.40	−0.84	−0.96	2.34	2.23	1.79	1.67
NI-PTZ-OCH 3 e	−0.25	−0.41	−0.85	−0.97	2.37	2.21	1.78	1.66
NI-PTZ-C 5 f	−0.26	−0.41	−0.86	−0.98	2.37	2.21	1.77	1.65
NI-PTZ-F-O g	−0.02	−0.18	−0.63	−0.75	3.22	3.06	2.62	2.49
NI-PTZ-Ph-O h	−0.01	−0.17	−0.62	−0.74	3.25	3.06	2.65	2.52
NI-PTZ-C 5 -O i	−0.02	−0.18	−0.63	−0.75	3.24	3.08	2.64	2.51

^aCyclic voltammetry in deaerated solutions containing 0.10 M Bu₄NPF₆, a Pt electrode as counter electrode, a glassy carbon electrode as working electrode, and Ag/AgNO₃ couple as the reference electrode; ^bE₀₀ = 2.61 eV; ^cE₀₀ = 2.61 eV; ^dE₀₀ = 2.63 eV; ^eE₀₀ = 2.63 eV; ^fE₀₀ = 2.62 eV; ^gE₀₀ = 3.24 eV; ^hE₀₀ = 3.26 eV; ⁱE₀₀ = 3.26 eV. E₀₀ (E₀₀ = 1240/λ) is the singlet state energy of the compounds, λ is the wavelength of the crossing point of normalized UV–vis absorption spectra and fluorescence emission spectra.