Research Article

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

Figure 8

Energy level diagram. ΔSCF HOMO and LUMO energies (in eV) computed at M06-2X/6-311+G(d,p)//M06-2X/6-31G(d,p) in PCM/methanol.