Excited Electronic States of Porphyrin-Fullerene Dyads with Different Type of Bonding

The general requirements to the artificial photosensitive systems are the light sorption at the visible field of spectrum, the long excitation states lifetime and the possibility to form system with separated charges. Donor-acceptor dyads porphyrin-fullerene are considered as promising materials possessed of noted features. The quantum-chemical calculations? results of geometry, general and excited electronic states of such structures with two kinds of bonds (porphyrin and fullerene are bonded covalently and non-covalently) are presented in this work. It has been shown that formation of system with separated charges in the first case happens more probably than in the second case, but the lifetimes of their excited states sufficiently lower.