Stereo-dynamics of the exchange reaction H-a+LiHb -> LiHa+H-b and its isotopic variants

	Stereo-dynamics of the exchange reaction H-a+LiHb -> LiHa+H-b and its isotopic variants
	Zhai Hong-Sheng 1; Yin Shu-Hui 2
刊名	chinese physics b
	2012-12-01
卷号	21 期号:12
关键词	quasi-classical trajectory reaction stereo-dynamics vector correlation reactive probability
英文摘要	the quasi-classical trajectory (qct) method is used to calculate the stereo-dynamics of the exchange reaction h-a+lihb -> liha+h-b and its isotopic variants based on an accurate potential energy surface reported by prudente et a l. [prudente f v, marques j m c and maniero a m 2009 chem. phys. lett. 474 18]. the reactive probability of the title reaction is computed. the vector correlations and four polarization-dependent generalized differential cross sections (pddcss) at different collision energies are presented. the influences of the collision energy and the reagent rotation on the product polarization are studied in the present work. the results indicate that the product rotational angular momentum j' is not only aligned, but also oriented along the direction perpendicular to the scattering plane. the product polarization distributions of the title reaction and its isotopic variants exhibit distinct differences which may arise from different mass combinations.
WOS标题词	science & technology ; physical sciences
类目[WOS]	physics, multidisciplinary
研究领域[WOS]	physics
关键词[WOS]	potential-energy surface ; product rotational polarization ; initiated bimolecular reactions ; wave-packet dynamics ; early universe ; ab-initio ; inelastic-collisions ; chemical-reactions ; lithium chemistry ; quantum dynamics
收录类别	SCI
语种	英语
WOS记录号	WOS:000314221400078
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/138094]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Dalian Maritime Univ, Dept Phys, Dalian 116026, Peoples R China
推荐引用方式 GB/T 7714	Zhai Hong-Sheng,Yin Shu-Hui. Stereo-dynamics of the exchange reaction H-a+LiHb -> LiHa+H-b and its isotopic variants[J]. chinese physics b,2012,21(12).
APA	Zhai Hong-Sheng,&Yin Shu-Hui.(2012).Stereo-dynamics of the exchange reaction H-a+LiHb -> LiHa+H-b and its isotopic variants.chinese physics b,21(12).
MLA	Zhai Hong-Sheng,et al."Stereo-dynamics of the exchange reaction H-a+LiHb -> LiHa+H-b and its isotopic variants".chinese physics b 21.12(2012).