The influence of changes in the dipole moment of reagents on the rate of photoinduced electron transfer

Abstract

The influence of spatial charge redistribution modeled by a change in the dipole moment of the reagent that experiences excitation on the dynamics of ultrafast photoinduced electron transfer was studied. A two-center model based on the geometry of real molecules was suggested. The model described photoexcitation and subsequent electron transfer in a donor-acceptor pair. The rate of electron transfer was shown to depend substantially on the dipole moment of the donor at the photoexcitation stage and the direction of subsequent electron transfer. These parameters also determined the most important characteristic of ultrafast photoinduced electron transfer, the angle ϑ between the reaction coordinates corresponding to these reaction stages. The regions of model parameters corresponding to the strongest influence of the carrier frequency of the exciting pulse on the rate of electron transfer were established.