Guest-Host Interactions in Symmetrical Carboxy Heptamethine Cyanine Dyes-Titanium Dioxide Systems: Synthesis, Theoretical Calculations, Aggregation Properties, and Application in Dye-Sensitized Solar Cells

Table 3

Electrochemical properties of compounds 12-14, where is the onset potential of oxidation, is the onset potential of reduction, IP (HOMO) is the ionization potential, EA (LUMO) is the electron affinity, and is the electrochemical bandgap.

	12	13	14
(V)	0.360	0.350	0.480
(V)	-0.51	-0.55	-0.54
IP (HOMO) (eV)^a	-4.80	-4.79	-4.92
EA (LUMO) (eV)^b	-3.93	-3.89	-3.90
(eV)	0.87	0.90	1.02

^aCalculated using Equation (1); ^bcalculated using Equation (2).