Electrochemical redox potentials, Gibbs free energy changes of the charge separation () and the energy of the charge separated state (E_CSS) of the compounds in different solvents^a.

	E OX (V)	E RED (V)	(eV)/ECSS (eV)
			HEX	TOL	THF	ACN
NDI	—b	−1.02, −1.46	—c	—c	—c	—c
Rho-Ph	+0.52, +0.66	—b	—c	—c	—c	—c
Rho-NDI	+0.51, +0.67	−0.96, −1.45	−1.62/1.66	−1.68/1.60	−1.82/1.46	−1.87/1.41
Rho-Ph-NDI	+0.52, +0.66	−0.98, −1.42	−1.22/2.06	−1.38/1.90	−1.66/1.62	−1.82/1.46
Rho-PhMe-NDI	+0.53, +0.69	−0.97, −1.42	−1.22/2.06	−1.38/1.90	−1.66/1.62	−1.82/1.46

^aCyclic voltammetry in N₂-saturated solvents containing 0.10 M Bu₄N[PF₆]. Pt electrode as the counter electrode, glassy carbon as the electrode working electrode, ferrocene (Fc/Fc⁺) as the internal reference (set as 0 V in the cyclic voltammograms), and Ag/AgNO₃ couple as the reference electrode in dichloromethane. E₀₀ = 3.28 eV for Rho-NDI, Rho-Ph-NDI and Rho-PhMe-NDI. E₀₀ is the approximated energy with the cross point of UV-vis absorption and fluorescence emission of NDI after normalization in HEX. For Rho-Ph-NDI and Rho-PhMe-NDI, in HEX, ΔG_S = 0.56 eV is used; in TOL, ΔG_S = 0.40 eV is used. THF stands for tetrahydrofuran.

^bNot observed.

^cNot applicable.