NONLOCAL DIELECTRIC RESPONSE OF WATER AND REORGANIZATION ENERGIES FOROUTER-SPHERE ELECTRON-TRANSFER REACTIONS

New results on the nonlocal dielectric function of liquid water (Ph. A . Bopp, A. A. Kornyshev, G. Sutmann, Phys. Rev. Let. 76, 1280 (1996)) are discussed and used to calculate reorganization free energies for e lectron exchange reactions between solute ions. The energies are shown to be several times larger than those given by the classical Marcus f ormula for the born sphere model of an ion. However, they are reduced to Marcus or even lower values for modified charge density models, whi ch take into account the delocalization of the ion excess charge distr ibution. (C) 1997 Elsevier Science Ltd.