Supramolecular porphyrin/fullerene interactions studied by spectral methods

Solid state electronic (UV-Vis) and vibrational (IR) spectra of the fullerene-zinc porphyrin dyad (1) as well as 5,10,15,20-tetrakis(3,5-di-tert-butylphenyl)porphyrinatozinc(II) (2) and modified fullerene (3) were investigated in the frequency range between 400 and 50,000 cm-1. Variable temperature IR studies were also performed. Molecular geometry of the compounds and their IR theoretical absorption spectra were calculated using AM1 method. It was stated, that redistribution of the charges occurs in both fullerene and porphyrin moieties upon covalent linkage. This effect is mainly observed as shifts of both electronic and vibrational bands in comparison with the respective free porphyrin and fullerene features