| CH3与NO2的反应 |
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| 作者单位： | 中国科学院化学研究所分子反应动力学国家重点实验室,北京,100080;吉林大学化学院理论化学研究所,长春,130023 |
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| 摘 要： | ![]()
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| 关 键 词： | CH3+NO2 时间分辨傅立叶红外光谱 量子化学计算 反应产物 反应机理 |
Reaction of CH3 with NO2 |
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| 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 |
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| Authors: | Cong-yun Shi Feng Dong Shuo Sun Hao Zhang Li Guo Ji-kang Feng Fan-ao Kong |
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| 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. |
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| Keywords: | CH3+NO2 Time-resolved FTIR spectroscopy Quantum chemical calculation Reaction product Reaction mechanism |
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