Electrochemical and thermodynamic properties of 2-(diethylamino)-4-(1-ethylpropyl)-6-phenyl-benzene-1,3-dicarbonitrile derivatives in the photo-reduction mechanism.

Acronym	E red vs. Ag/AgCl [V]	E S1 [eV]	ΔGet(S1)a [eV]	E T1 [eV]	ΔGet(T1)a [eV]
BI-PH	−1.854	3.02	−0.09	2.63	0.28
BI-PH-CH3	−1.840	3.04	−0.13	2.62	0.28
BI-PH-O-CH3	−1.927	3.05	−0.05	2.60	0.39
BI-PH-CN	−1.515	2.82	−0.23	2.51	0.07
BI-PH-SO2-CH3	−1.604	2.89	−0.21	2.63	0.03
BI-PH-S-CH3	−1.771	3.02	−0.18	2.60	0.23
BI-PH-CF3	−1.997	2.94	0.13	2.55	0.50
BI-1-NPH	−1.813	3.08	−0.19	2.47	0.40
BI-2-NPH	−1.720	2.99	−0.20	2.56	0.22
BI-1-AN	−1.735	3.05	−0.24	1.78	1.01

^aCalculated from the equation: , E_ox(D/D˙⁺) – electrochemically determined oxidation potential of the electron donor (−1.058 V for amine EDB vs. Ag/AgCl)⁶⁹, E_red (A˙⁻/A) – electrochemically determined reduction potential of the electron acceptor, E_S1 – singlet state energy of the sensitiser determined based on excitation and emission spectra, E_T1 – triplet state energy calculated from molecular orbital calculations (uB3LYP/6-31G* level of theory), Φ_et – quantum yield of electron transfer, Φ_et = K_SV[EDB]/(1 + K_SV[EDB]) for the concentration of amine [EDB] = 0.086 mol dm⁻³.