Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function

Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function

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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. 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.

作者 BU Yu-xiang (Department oj Chemistry,Qufu Normal University,Qufu,273165)DENG Cong-hao (Department of Chemistry,Shandong University,Jinan,250100)

出处《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1995年第2期137-144,共8页 高等学校化学研究（英文版）

基金 Supported by the Natural Science Foundation of Shandong Province

关键词 Hydrated metal ion Inner-sphere reorganization energy self-exchange reaction Accurate potential function Hydrated metal ion,Inner-sphere reorganization energy self-exchange reaction,Accurate potential function

分类号 O641 [理学—物理化学]

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1Yu Xiang BU,Xin Yu SONG(Department of chemistry, QuFu Normal University. Qufu, 273165).THE　SCALE　METHOD　OF　INNER－SPHERE　REORGANIZATION　ENERGY　OF　HYDRATED　IONS　VIA　ION－DIPOLE　CAPTUR　FORCE　FORCE　FIELD　POTENTIAL[J].Chinese Chemical Letters,1994,5(3):225-226.
2Yu Xiang BU,Xin Yu SONG,Yu Hua ZHANG(Department of Chemistry. Qufu Normal University,Qufu,273165).A NEW AB INITIO CALCULATION METHOD OF INNER-SPHERE REORGANIZATION ENERGY[J].Chinese Chemical Letters,1995,6(6):491-494.
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4Zheng Yu ZHOU,Chuan Song ZHANG,(Department of Chemistry Qufu Normal University, Qufu, Shangdong, 273165)Jian Xia YE (Qufu Teacher’s Training College, Qufu Shangdong, 273165).The Inner-sphere Reorganization Energy of M-H/M^+-H System in Gaseous Phase[J].Chinese Chemical Letters,1998,9(9):859-861. 被引量：2
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7Shuhua Ma,Xiaodong Zhang,Hong Xu,Xingkang Zhang,Qiyuan Zhang.AM1 and ab initio studies on the internal reorganization energy of self-exchange electron transfer reactions of several quinone derivatives[J].Chinese Science Bulletin,2001,46(15):1242-1251.
8Jian XU,Zheng Yu ZHOU,Yan He GUO(Department of Chemistry,Qufu Normal University, Qufu, Shandong, 273165).Inner-Sphere Reorganization Eneregy For Metal Ion-Benzene Complex in Electron-Transfer Process[J].Chinese Chemical Letters,1997,8(8):729-732.
9Bu, YX,Deng, CH.Electronic factor in electron self-exchange reaction of hydrated redox ion pairs from thermodynamic data[J].Chinese Journal of Chemistry,1997,15(3):201-210.
10闵玮,孙琳.Internal Reorganization Energy Contributed by Torsional Motion in Electron Transfer Reaction between Biphenyl and Biphenyl Anion Radical[J].Chinese Journal of Chemistry,2002,20(10):963-967.

Chemical Research in Chinese Universities

1995年第2期

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Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function

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