| 单重态二溴代乙叉重排反应的量子化学研究 |
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| 引用本文： | 石凤,王大庆.单重态二溴代乙叉重排反应的量子化学研究[J].分子科学学报,1999(3). |
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| 作者姓名： | 石凤 王大庆 |
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| 作者单位： | 山东师范大学测试中心!山东济南250014 |
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| 摘 要： | 采用量子化学中的ＡＭ１ 方法研究了单重态二溴代乙叉重排反应的机理．结果发现， 该重排反应经过１ 个三元环过渡态．根据计算结果，详细研究了该反应的热力学及动力学函数．
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| 关 键 词： | AM1 Br_2CC∶ BrCCBr 反应机理 热力学函数 动力学函数 |
Study on the rearrangement reaction of singlet dibromovinylidene using AM1 method of quantum chemistry |
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| SHI Feng,WANG Da qing.Study on the rearrangement reaction of singlet dibromovinylidene using AM1 method of quantum chemistry[J].Journal of Molecular Science,1999(3). |
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| Authors: | SHI Feng WANG Da qing |
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| Abstract: | The mechanism of the rearrangement reaction of singletdibromovinylidene has been studied using AM1 method of quantum chemistry. The result shows that the transition state of the rearrangement reaction is a three-member ring structure. According to the results of AM1, the thermodynamic and kinetic properties of the rearrangement reaction have been calculated |
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