Feskov, Serguei V. published the artcileShort-Time Dynamics of Radical-Ion Pairs Produced by Photoinduced Electron Transfer in Solution: The Magnetic Field Effect, Category: nitriles-buliding-blocks, the main research area is dimethylanthracene phthalonitrile electron transfer magnetic field effect.
Kinetics of radical-ion pairs (RIPs) formed by photoinduced electron transfer in solution, as well as triplet and singlet products of their recombination, are studied within a general theory of spin-selective charge transfer assisted by diffusion of reactants in solution The RIPs are assumed to be created in the singlet state, and their coherent singlet-triplet evolution is described in terms of isotropic hyperfine interaction (HFI) and Δg mechanisms. A set of quantum-classical model equations is solved numerically using the time propagator splitting technique. Numerical simulations are carried out on a prototype photochem. reaction involving bimol. electron transfer between 9,10-dimethylanthracene (DMeA) and phthalonitrile (PN) in acetonitrile (ACN) solution Time-dependent populations of all electronic and spin states, as well as spatial distributions of reactants in the course of forward and backward charge transfer are calculated and analyzed. Particularly, spatial profiles of charge recombination (CR) in singlet and triplet RIPs are shown to differ significantly, with a significant part of the singlet RIPs undergoing distant (non-contact) recombination. The effect of a strong (saturating) magnetic field on the triplet CR product yield in these reactions is studied. For the HFI-induced coherent spin transitions, the time-dependent magnetic field effect is shown to decrease with time. A phenomenon of suppressing the triplet CR product yield in RIPs with the HFI- and Δg-induced coherent spin transitions in moderate magnetic fields is investigated and its phys. origins are discussed.
Applied Magnetic Resonance published new progress about Excited singlet state. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Category: nitriles-buliding-blocks.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts