| Rh（Ⅱ） carbene S-H insertion into H2S via the stepwise mechanism |
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| 引用本文： | Zhen Feng Liu Xian Fang Yue Qiang Wei Ke Li Han. Rh（Ⅱ） carbene S-H insertion into H2S via the stepwise mechanism[J]. 中国化学快报, 2007, 18(1): 107-110. DOI: 10.1016/j.cclet.2006.11.012 |
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| 作者姓名： | Zhen Feng Liu Xian Fang Yue Qiang Wei Ke Li Han |
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| 作者单位： | Zhen Feng Liu Xian Fang Yue Qiang Wei Ke Li Han~* State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian 116023,China |
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| 摘 要： | The mechanism of Rh(Ⅱ)carbene S-H insertion into H_2S in gas phase has been studied by B3LYP functional.Calculation results showed that the Rh(Ⅱ)carbene S-H insertion into H_2S took only stepwise channels and no concerted channels had been located, which was different from the Rh(Ⅱ)carbene C-H and O-H insertions.
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| 关 键 词： | Sulfonium ylides 1 2-Hydrogen shift Density functional calculations Dirhodium(Ⅱ) carbene |
| 收稿时间： | 2006-04-21 |
Rh(II) carbene SH insertion into H2S via the stepwise mechanism |
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| Zhen Feng Liu,Xian Fang Yue,Qiang Wei,Ke Li Han,. Rh(II) carbene SH insertion into H2S via the stepwise mechanism[J]. Chinese Chemical Letters, 2007, 18(1): 107-110. DOI: 10.1016/j.cclet.2006.11.012 |
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| Authors: | Zhen Feng Liu Xian Fang Yue Qiang Wei Ke Li Han |
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| Affiliation: | State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China |
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| Abstract: | The mechanism of Rh(II) carbene S H insertion into H2S in gas phase has been studied by B3LYP functional. Calculation results showed that the Rh(II) carbene SH insertion into H2S took only stepwise channels and no concerted channels had been located, which was different from the Rh(II) carbene CH and OH insertions. |
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