DYNAMIC POLAR-SOLVENT EFFECTS ON PROTON-TRANSFER REACTIONS

Some recent developments in theoretical approaches to the study of dynamic polar solvent effects on proton transfer reactions in condensed phase are discussed. The solvent not only modifies the potential energy barrier but also provides frictional forces to the reactive motion. arising from coupling of the latter to the solvent fluctuations. Current theoretical approaches describing the dynamics of polar solvation provide new routes to the evaluation of the friction coefficients from solvent relaxation parameters. The calculation of the proton transfer rate constants through the Grote-Hynes result on modified Kramers' theory and its quantum generalisation by Wolynes is discussed. Alternative dynamical approaches in the spirit of electron transfer theory are also outlined.