| 最大重迭杂化轨道应用研究——Ⅰ.卤代甲烷和硅烷系列分子的杂化轨道 |
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| 引用本文： | 胡振明
,刘范.最大重迭杂化轨道应用研究——Ⅰ.卤代甲烷和硅烷系列分子的杂化轨道[J].湖北师范学院学报(自然科学版),1989(1). |
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| 作者姓名： | 胡振明 刘范 |
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| 作者单位： | Hu Zhenmin(Department of Chemistry，Hubei Normal University) Liu Fan (Frank Liu)( Department of Chemistny，Central China Normal Uniyersity |
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| 摘 要： | 本文利用最大重迭法,在分别考虑卤素配体杂化的基础上,求得了卤取代甲烷和硅烷系列分子实际构型下的杂化轨道。为研究这类分子的性质与结构关系提供了理论依据。
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| 关 键 词： | 最大重迭法 轨道成份 键积分 |
MAXIMUM OVERLAP HYBRID ORBITALS AND ITS APPLICATION 1.Hybrid Orbitals of Halomethanes and Halosilanes |
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| Hu Zhenmin.MAXIMUM OVERLAP HYBRID ORBITALS AND ITS APPLICATION 1.Hybrid Orbitals of Halomethanes and Halosilanes[J].Journal of Hubei Normal University(Natural Science),1989(1). |
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| Authors: | Hu Zhenmin |
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| Abstract: | The maximum overlap method is used to calculate the hybrid orbitals of halomethanes and halosilanesa. The calculation are performed in two different Choices of halogen functions. <1> Pure np. orbitals, < 2 > np. orbitals Plus fractional s - Character ( F 25%, Cl 15%, Br 10%, I 0% ) . The results can be used to discuss thd substituent effects on chemical properties in the halomethanes and halosilanes. |
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| Keywords: | Maximum Overlap Method Orbital character Bond Integral |
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