摘要
通过计算,得出了ZnCl2催化的一甲基三氯硅烷和三甲基氯硅烷歧化反应的机理,得出了IRC曲线和过渡态的虚振动模式.研究发现,ZnCl2的反应活性稍逊于AlCl3,与实验结果较为一致.
The mechanism of redistribution of trichloromethyl and chlorotrimethyl silane catalyzed by ZnCl2 has been obtained by calculation.The curves of IRC pathways and the imaginary vibration modes of transition states are also obtained.The catalytic activity of ZnCl2 is lower than that of AlCl3,which is accord with the result of the experiments.
出处
《江西师范大学学报（自然科学版）》
CAS
北大核心
2008年第4期462-466,共5页
Journal of Jiangxi Normal University(Natural Science Edition)
基金
国家自然科学基金(30760137)
江西省自然科学基金(2007GQH0816)资助项目
