Reaction of CH3 with NO2
- Received Date: 2006-06-30
- CH3+NO2, Time-resolved FTIR spectroscopy, Quantum chemical calculation, Reaction product, Reaction mechanism
Abstract: 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.
|Citation:||Cong-yun Shi, Feng Dong, Shuo Sun, Hao Zhang, Li Guo, Ji-kang Feng, Fan-ao Kong. Reaction of CH3 with NO2[J]. Chinese Journal of Chemical Physics , 2007, 20(1): 31-36. doi: 10.1360/cjcp2007.20(1).31.6|