The study of elementary acts of charge transfer occurring in conjugated systems under photoirradiation conditions is the most important task of chemical physics. Such studies allow us to obtain new ideas about the directions of generation of radical and ion-radical structures and to form approaches to the transformation of photoenergy into other types of energy. The currently developed general theoretical framework for proton-electron transfer reactions (PETR) is applicable to a wide range of experimentally studied reactions in solutions, proteins and electrochemistry, which play a crucial role in various chemical and biological processes, including photosynthesis, various enzyme reactions and energy devices. Currently, there is a methodology for simulating mixed quantum and classical molecular dynamics for PETR reactions; moreover, non-adiabatic dynamics methods have been developed for modeling ultrafast nonequilibrium dynamics of photoinduced PETR reactions for model systems. This paper discusses the results of the study of elementary stages and a detailed analysis of the internal mechanisms of stable generation of radio emission in photochemical reactions using the effects of chemical polarization of nuclei using the example of phototransformations of benzophenones with various electron donors. According to the results of studies conducted in a modified sensor of a multi-core NMR spectrometer with simultaneous recording of the spectrum, detailed mechanisms and elementary acts of photoreduction of benzophenones with triethylamine, N, N-diethyl-p-toluidine and N, N-dimethylaniline, as well as phenols and aniline, were established. It was found that the benzophenone photoreduced in two stages (first electron transfer, then proton) or one (transfer of a hydrogen atom only).
Short-Range Electron Transfer in Reduced Flavodoxin: Ultrafast Nonequilibrium Dynamics Coupled with Protein Fluctuations
