| Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function |
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| 作者姓名： | BU Yu-xiang |
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| 作者单位： | BU Yu-xiang (Department oj Chemistry，Qufu Normal University，Qufu，273165)DENG Cong-hao (Department of Chemistry，Shandong University，Jinan，250100) |
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| 基金项目： | Supported by the Natural Science Foundation of Shandong Province |
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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.
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Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function |
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| BU Yu-xiang.Scaling for Experimental Inner-Sphere Reorganization Energy of Hydrated Ions via Accurate Potential Function[J].Chemical Research in Chinese University,1995(2). |
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| Authors: | BU Yu-xiang |
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| Abstract: | 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. |
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| Keywords: | Hydrated metal ion Inner-sphere reorganization energy self-exchange reaction Accurate potential function |
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