Table 3.

Electrochemical data of the isomers.

Compound	Eox a (V)	Ered a (V)	IP b (eV)	EA c (eV)
o-DBCNPy	0.60	−1.98	5.53	2.95
m-DBCNPy	0.62	−2.01	5.55	2.92
p-DBCNPy	0.61	−1.93	5.54	3.00

^a Oxidation (reduction) potential, estimated from the onset of the first oxidation (reduction) wave, V versus Ag/Ag⁺; ^b vertical ionization potential, IP = 4.93 eV + E_ox (the value (minus) 4.93 eV was obtained from the calibration of the Ag⁺ electrode versus vacuum) [44]; ^c vertical electron affinity, EA = 4.93 eV + E_red.