CH3与NO2的反应
CHINESE JOURNAL OF CHEMICAL PHYSICS（2007）
Abstract
用时间分辨傅立叶红外光谱法和量子化学计算,研究了CH3自由基与NO2的基元反应.由248 nm激光光解CH3Br或CH3I得到CH3自由基.首次观测到了振动激发的产物OH、HNO和CO2.另一产物NO也被证实.由此确定了反应通道CH3O+NO,CH2NO+OH和HNO+H2CO.其中CH3O+NO是主要的反应通道.还用CCSD(T)/6-311++G(df,p)//MP2/6-311G(d,p)的方法对上述通道的机理在 理论上做了研究.理论计算的结果与实验观察相符.
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Key words
CH3+NO2, time-resolved FTIR spectroscopy, quantum chemical calculation, reaction product, reaction mechanism
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