Reaction of CH2Cl with O2
作者： Hai-tao Ma , Cong-yun Shi , Wen-sheng Bian , Hong-mei Su , Fan-ao Kong
DOI: 10.1088/1674-0068/20/04/383-387
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摘要: The elementary reaction of CH2Cl+O2 in gas phase was investigated by time-resolved FTIR emission spectroscopy. Vibrationally excited products CO (v 4), and CO2 (3, v 7) were observed. yield ratio CO/CO2(3) 72.27. pathways studied theoretically at QCISD//UB3LYP/6-311++G(d,p) level. In the beginning reaction, CH2Cl radical associated with O2 to form CH2ClOO, followed removal Cl atom another intermediate dioxirane CH2OO. Subsequently, a series isomerization decomposition CH2OO took place, yielding final CO2. calculated result consistent experimental observation.
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