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	在冰表面上硝酸氯和氯化氢反应的机理; Reaction mechanism of chlorine nitrate with HCl on ice surface
	徐四川 ; 赵新生
	1998
关键词	硝酸氯 氯化氢 反应机理 冰表面 臭氧洞 chlorine nitrate hydrogen chloride reaction mechanism hole
英文摘要	On the line of multi-molecule-formed transition state mechanism,reactionof ClONO2 with HCl on ice surface was investigated with model system by theoretical ab initio calculations.In the gas phase,the barrier of reaction of ClONO2 with HCl is 240.2kJ·mol-1at MP2HF/6-31G(d) level.The barriers drop sub...; On the line of multi-molecule-formed transition state mechanism, reaction of ClONO2 with HCl on ice surface was investigated with model system by theoretical ab initio calculations. In the gas phase, the barrier of reaction of ClONO2 with HCl is 240.2 kJ.mol(-1) at MP2//HF/6-31G(d) level.The barriers drop substantially with the involvement of water molecules. The barrier of reaction of ClONO2 with 2H(2)O . HCl is 4.6 kJ.mol(-1) at the same theoretical level which suggests that the reaction of ClONO2 with HCl can occur readily on ice surface. The detailed account will be published in near future.; SCI(E); 中文核心期刊要目总览(PKU); 中国科学引文数据库(CSCD); 10; 01; 5-7; 14
语种	中文
出处	知网 ; SCI
出版者	物理化学学报
内容类型	其他
源URL	[http://hdl.handle.net/20.500.11897/78754]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	徐四川,赵新生. 在冰表面上硝酸氯和氯化氢反应的机理, Reaction mechanism of chlorine nitrate with HCl on ice surface. 1998-01-01.

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