The dynamics of formation of HCl products from the reaction of Cl atoms with methanol, ethanol and dimethyl ether
The dynamics of formation of HCl products from the reaction of Cl atoms with methanol, ethanol and dimethyl ether
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Cl原子与甲醇、乙醇和二甲醚反应生成HCl产物的动力学
DOI：
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发表时间：
2002
期刊：
影响因子：
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通讯作者：
A. Orr
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文献类型：
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作者：
S. Rudić;C. Murray;D. Ascenzi;H. Anderson;J. Harvey;A. Orr
从实验和理论两方面研究了基态Cl（2 P ~（3/2））原子与甲醇、甲醇-d1、乙醇和二甲醚反应的动力学。该反应是光引发的355 nm光解的Cl 2产生单能Cl（2 P3/2）原子，在单碰撞条件下与基态电子态的有机分子反应。利用2+1共振增强多光子电离技术，在飞行时间质谱仪上研究了HCl（ν′）的转动量子态布居分布. Cl原子与甲醇、甲醇-d1（CH 3 OD）、乙醇和二甲醚在5.6-6.7 kcal/mol的平均碰撞能范围内反应生成的新生HCl（ν′=0）产物显示出在转动能级上的布居分布，其峰值均在J′=3-5处。HCl（ν′=0）反应产物的平均转动能分别为Erot ε =330±29、300±24、340±24和256±17 cm−1（1σ不确定度）。从头计算进行了，以…
The dynamics of ground state Cl(2P3/2) atom reactions with methanol, methanol-d1, ethanol, and dimethyl ether have been studied both experimentally and theoretically. The reactions were photoinitiated by 355 nm photolysis of Cl2 to produce monoenergetic Cl(2P3/2) atoms that react with ground electronic state organic molecules under single collision conditions. The rotational quantum state population distributions of the nascent HCl(ν′) products were probed by 2+1 resonance-enhanced multiphoton ionization in a time-of-flight mass spectrometer. Nascent HCl(ν′=0) products from reaction of Cl atoms with methanol, methanol-d1 (CH3OD), ethanol, and dimethyl ether, at mean collision energies in the range of 5.6–6.7 kcal/mol, exhibit distributions of population over rotational levels that all peak at J′=3–5. The average rotational energies of the HCl(ν′=0) products for the respective reactions are 〈Erot〉=330±29, 300±24, 340±24, and 256±17 cm−1 (1σ uncertainties). Ab initio calculations were performed in order to ...