Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description.

A theoretical study of the mechanisms of electroluminescence (EL) generation in photoactive molecules with donor and acceptor centers linked by saturated σ-bonds (molecules of the Aviram-Ratner-type) is presented. The approach is based on the kinetics of single-electron transitions between many-body molecular states. This study shows that the EL polarity arises due to asymmetric coupling of molecular orbitals of the photochromic part of the molecule to the electrodes.

Theory of Triplet Excitation Transfer in the Donor-Oxygen-Acceptor System: Application to Cytochrome b6f.

Theoretical consideration is presented of the triplet excitation dynamics in donor-acceptor systems in conditions where the transfer is mediated by an oxygen molecule. It is demonstrated that oxygen may be involved in both real and virtual intramolecular triplet-singlet conversions in the course of the process under consideration. Expressions describing a superexchange donor-acceptor coupling owing to a participation of the bridging twofold degenerate oxygen's virtual singlet state are derived and the transfer kinetics including the sequential (hopping) and coherent (distant) routes are analyzed.