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Electronic factor in electron self‐exchange reaction of hydrated redox ion pairs from thermodynamic data
Author(s) -
Bu YuXiang,
Deng CongHao
Publication year - 1997
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19970150303
Subject(s) - chemistry , electron transfer , ion , work (physics) , redox , electron , matrix (chemical analysis) , electron exchange , atomic physics , coupling constant , thermodynamics , inorganic chemistry , quantum mechanics , physics , organic chemistry , chromatography
An accurate scheme for determining the electronic factor of the electron self‐exchange reaction in solution is presented in this paper. The wed various activation parameters and slopes of potential energy surfaces are obtained in terms of an improved activation model and the accurate potential function determined from the vibrational spectroscopic and thermodynamic data. The coupling matrix elements are determined using numerical integral method over the perturbed double‐zeta Slater‐type state functions. Theoretical results of electronic factor in this work an found in close agreement with those extracted from experimental rate constant data and to be less than unity. Results indicate that outer‐sphere electron transfer reactions in solution involving hydrated transition metal ions are nonadiabatic in nature.