| Theoretical Study on the Kinetics of Electron Transfer for Bond—breaking Reaction |
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| 引用本文： | 邢玉梅 周正宇 等. Theoretical Study on the Kinetics of Electron Transfer for Bond—breaking Reaction[J]. 中国化学, 2002, 20(6): 539-544. DOI: 10.1002/cjoc.20020200604 |
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| 作者姓名： | 邢玉梅 周正宇 等 |
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| 作者单位： | [1]DepartmentofChemistry,QufuNormalUniversity,Qufu,Shandong273165,China [2]StateKeyLaboratoryofCrystalMateials,ShandongUniversity,Jinan,Shandong250100,China |
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| 基金项目： | theNaturalScienceFoundationofShandongProvince (No .Y99B0 1)，theNationalKeyLaboratoryFoundationofCrystalMaterial，theNationalNaturalScienceFoundationofChina (No.2 96 730 5 ) |
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| 摘 要： | ＩｎｔｒｏｄｕｃｔｉｏｎＦｒｅｅｒａｄｉｃａｌｆｏｒｍａｔｉｏｎｆｒｏｍｈａｌｏｇｅｎａｔｅｄｈｙｄｒｏｃａｒｂｏｎｓｈａｓｒｅｃｅｉｖｅｄｃｏｎｓｉｄｅｒａｂｌｅａｔｔｅｎｔｉｏｎｂｅｃａｕｓｅｏｆｉｔｓｓｃｉｅｎｔｉｆ ｉｃａｎｄｅｎｖｉｒｏｎｍｅｎｔａｌｒｅｌｅｖａｎｃｅ .1 6 Ｔｈｉｓｒｅａｃｔｉｏｎｓｅｅｍｓｔｏｐｌａｙａｎｉｍｐｏｒｔａｎｔｒｏｌｅｉｎｖａｒｉｏｕｓｐｒｏｃｅｓｓｅｓ .Ｂｏｎｄ ｂｒｅａｋ ｉｎｇｒｅａｃｔｉｏｎｉｓａｐｏｗｅｒｆｕｌｓｙｎｔｈｅｔｉｃｔｏｏｌｔｏｐｒｏｖ…
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| 关 键 词： | 断键反应 电子传递 理论研究 动力学 |
Theoretical Study on the Kinetics of Electron Transfer for Bond-breaking Reaction |
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| XING,Yu Mei a,b ZHOU,Zheng Yu GAO,Hong Wei a. Theoretical Study on the Kinetics of Electron Transfer for Bond-breaking Reaction[J]. Chinese Journal of Chemistry, 2002, 20(6): 539-544. DOI: 10.1002/cjoc.20020200604 |
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| Authors: | XING Yu Mei a b ZHOU Zheng Yu GAO Hong Wei a |
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| Affiliation: | XING,Yu Mei a,b ZHOU,Zheng Yu GAO,Hong Wei a Department of Chemistry,Qufu Normal University,Qufu,Shandong 273165,China b Department of Chemistry,Nankai University,Tianjin 300071,China c State Key Laboratory of |
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| Abstract: | To test the theory of dissociative electron transfer, a simple model describing the kinetics of electron transfer bond breaking reactions was used. The Hamiltonian of the system was given. The homogeneous and heterogeneous kinetic data fit reasonably well with an activation driving force relationship derived from the Marcus quadratic theory. In the heterogeneous case, there is a good agreement between the theoretical calculation and the experimental result, while in the homogeneous case, a good agreement is only observed for the tertiary halides. This is due to the stability of tertiary radical resulting from the sterical effect. |
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| Keywords: | electron transfer bond breaking reaction butyl halide |
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