高等学校化学研究 ›› 1995, Vol. 11 ›› Issue (2): 137-144.
Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function
BU Yu-xiang1, DENG Cong-hao2
- 1. Department of Chemistry, Qufu Normal University, Qufu, 273165;
2. Department of Chemistry, Shandong University, Jinan, 250100
Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function
BU Yu-xiang1, DENG Cong-hao2
- 1. Department of Chemistry, Qufu Normal University, Qufu, 273165;
2. Department of Chemistry, Shandong University, Jinan, 250100
摘要： Reported here are several new calculation methods for the inner-sphere reorganization energy of hydrated metal ions involved in electron transfer processes.It is based on the self-exchange model of reorganization and utilizes the more exact potential functions between central metal ion and the inner-sphere ligands.The parameters involved are determined via the spectroscopic and thermodynamic data.The predictions of the inner-sphere reorganization energies from those models agree well with the photoemission experimental results.