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	Ab initio study on photolysis of chlorine nitrate and its isomers (II) - Investigation of reaction mechanism of ClONO2 -> ClO+NO2
	Lin, MH ; Lin MH(林梦海) ; Lin, LT ; Lin LT(林连堂) ; Chui Chow, LY
	1998
关键词	chlorine nitrate ClONO2 photolysis reaction reaction mechanism ab initio
英文摘要	The reaction mechanism of photolysis for chlorine nitrate that causes ozone lost in the stratosphere ClONO2 --> ClO + NO2 has been studied by using ab initio calculation method. Two transition states TS2a and TS2b have been found, but it is difficult to overcome so high energy barrier to get to TS2a, and it is easy to pass TS2b over 4.20 similar to 4.35 eV energy barrier from the initial state(conformation (B) or (D)) to the final state. However only 1.20 eV is required to pass TS2b from ClO+NO2 to ClONO2, so reaction path (2) is a reversible reaction.
语种	中文
出版者	HIGHER EDUCATION PRESS
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/13390]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Lin, MH,Lin MH,Lin, LT,et al. Ab initio study on photolysis of chlorine nitrate and its isomers (II) - Investigation of reaction mechanism of ClONO2 -> ClO+NO2[J],1998.
APA	Lin, MH,林梦海,Lin, LT,林连堂,&Chui Chow, LY.(1998).Ab initio study on photolysis of chlorine nitrate and its isomers (II) - Investigation of reaction mechanism of ClONO2 -> ClO+NO2..
MLA	Lin, MH,et al."Ab initio study on photolysis of chlorine nitrate and its isomers (II) - Investigation of reaction mechanism of ClONO2 -> ClO+NO2".(1998).

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