Figure 8
From: Near-Infrared Fluorescence of Silicon Phthalocyanine Carboxylate Esters
Calculated frontier MO energies of 1–7, obtained from DFT [(B3LYP/SBKJC-VDZ for Si(IV)) and (6–31 G** for C,H,N,O,(F)] with CPCM(MeCN) and 0.5 eV threshold of degeneracy (orbitals are isocontoured at 0.03). Kohn-Sham MOs of 1–7 are also shown.
