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《Journal of Jiangxi Normal University (Natural Sciences Edition)》 2004-01
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Theorotic Study on the Preparation of Dichlorodimethylsilane by Redistribution

XU Wen-yuan~1,HONG San-guo~2,LIU Xian-liang~3 (1.School of Basic Science, East China Jiaotong University,Nanchang 330013,China;2.Institute of Chemistry,Jiangxi Normal University, Nanchang 330027,China;3.Peridical Office of Journal, Jiangxi Normal University, Nanchang 330027,China)  
The redistribution of trichloromethylsilane and chlorotrimethylsilane are studied, is a cooperation process and an endothermic reaction. The IRC reaction process curve is also shown. The reaction heat is -22.837 2 kJ·mol~(-1), the activation energy is 331.764 9 kJ·mol~(-1), adjusted by vibration zero-point energy. The curves of varieties of key atomic distances along IRC pathway are also obtained. The results calculated by MP2/6-31G~* and B3LYP/6-31G~* make the same conclusions.
【CateGory Index】: O627.4
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【References】
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1 XU, Wen-Yuan,a HE, Zhong-Yia CHEN, Yub LI, Feng-Yic HONG, San-Guoc (a Department of Chemistry and Chemical Engineering, East China Jiaotong University, Nanchang 330013) (b Xinghuo Chemical Works, Bluestar Co., Yongxiu 330319) (c Institute of Applied Chemistry, Nanchang University, Nanchang 330047);DFT and MP2 Study on the Redistributing Preparation of Dichlorodimethylsilane Catalyzed by AlCl_3 (II)[J];Acta Chimica Sinica;2005-16
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1 XU Wen-yuan 1,LI Feng-yi 2,WANG Le-fu 1\;(1.Institute of Chemical Engineering,South China University of Technology,Guangzhou,510640 PRC;2.Institute of Applied Chemistry,Nanchang University,Nanchang,330047 PRC);Preparation of Dichlorodimethylsilane[J];Jiangxi Science;2002-03
【Co-citations】
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1 XU Wen-yuan (School of Basic Science, East China Jiaotong University, Nanchang 330013,China);Study on the Alcoholysis of Dichlorodimethylsilane[J];Journal of Jiangxi Normal University (Natural Sciences Edition);2005-01
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