Reaction of CH3 with NO2

被引：5

作者：

Shi, Cong-yun

Dong, Feng

Sun, Shuo

Zhang, Hao

Guo, Li

Feng, Ji-kang ^{[1
]}

Kong, Fan-ao

机构：

[1] Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China

[2] Jilin Univ, Coll Chem, Inst Theoret Chem, Changchun 130023, Peoples R China

来源：

CHINESE JOURNAL OF CHEMICAL PHYSICS | 2007年 / 20卷 / 01期

关键词：

CH3+NO2; time-resolved FTIR spectroscopy; quantum chemical calculation; reaction product; reaction mechanism;

D O I：

10.1360/cjcp2007.20(1).31.6

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The elementary reaction of the CH3 radical with NO2 was investigated by time-resolved FTIR spectroscopy and quantum chemical calculations. The CH3 radical was produced by laser photolysis of CH3Br or CH3I at 248 nm. Vibrationally excited products OH, HNO and CO2 were observed by the time-resolved spectroscopy for the first time. The formation of another product NO was also verified. According to these observations, the product channels leading to CH3O+NO, CH2NO+OH and HNO+H2CO were identified. The channel of CH3O+NO was the major one. The reaction mechanisms of the above channels were studied by quantum chemical calculations at CCSD(T)/6-311++G(df,p)//MP2/6-311G(d,p) level. The calculated results fit with the experimental observations well.

引用

页码：31 / 36

页数：6

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