Inner-Sphere Reorganization for Redox Pairs M(NH_3)_6~(2+/3+)(M=Mn, Fe, and Co): Models and Calculations

摘要

The inner-shell reorganization and activaton models of the electron-transfer reactions of transition-metal hexammine complexes are presented. The niner-shell reorganization and activition energies of several hexammine redox pairs M(NH_3)_6~(2+/3+)(M=Mn, Fe, and Co) in self-exchange reaction are stuided by different formalisms. The extent of the anharmonicities in the vibration between the metal-ion and the ligands in the reorganization process of these complexes is determined The inner-shell barrier of these redox pairs are dependent on reoganization model usedl The contribution of the individual reactants to the inner-shell barrier is sensitive to the model used