Citation: Zheng Yu ZHOU, Chuan Song ZHANG, Jian Xia YE. The Inner-sphere Reorganization Energy of M-H/M⁺-H System in Gaseous Phase[J]. Chinese Chemical Letters, ;1998, 9(9): 859-862. shu

The Inner-sphere Reorganization Energy of M-H/M⁺-H System in Gaseous Phase

1.
Department of Chemistry Qufu Normal University Qufu Shangdong 273165;
2.
Qufu Teacher's Training College Qufu Shangdong 273165

A new ab-initio method of computing reorganization energy (RE) for the electron transfer (ET) reaction between M-H and M⁺-H system is presented. Values of RE from precise RE definition and the George-Griffith-Marcus (GGM) model were obtained and compared with the RE obtained from the experimental spectroscopic data. Results show that in the gaseous phase, ET reactions by the new method can give better values than classical GGM model.
- electron transfer reaction,
- reorganization energy,
- ab-initio method
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