Ab initio study on the reaction of CH with NH3

被引:0
作者
Wang, ZX
Liu, RZ
Huang, MB
Yu, ZH
机构
[1] Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China
[2] Acad Sinica, Grad Sch, Beijing 100039, Peoples R China
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The mechanism of the reaction of the CH radical with NH3 has been theoretically studied at the MP2/6-31G** level. The calculation results Indicate that the insertion reaction path Is the favourable channel, which is in line with Lin's proposal based on their kinetic experiments. A detailed description of the complicated insertion reaction path is presented.
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页码:961 / 964
页数:4
相关论文
共 3 条
[1]  
FRISCH MJ, 1986, GAUSSIAN 86
[2]  
Hehre W.J., 1986, AB INITIO MOL ORBITA
[3]  
SANDERS WA, 1988, CHEM KINETIC SMALL O, V3, pCH14