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题名: Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction
作者: Ma, Jian-Jun;  Chen, Mao-Du;  Cong, Shu-Lin;  Han, Ke-Li
关键词: quasiclassical trajectory ;  vector correlations ;  stereodynamics
刊名: CHEMICAL PHYSICS
发表日期: 2006-09-11
DOI: 10.1016/j.chemphys.2006.06.010
卷: 327, 期:2-3, 页:529-535
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The vector correlations between products and reagents for the chemical reaction N(S-4) + O-2(X-3 Sigma(-)(g)) -> O(P-3) + NO(X-2 Pi) are studied using quasiclassical trajectory (QCT) method at different collision energies on the lowest (2)A' and (4)A potential energy surfaces (PESs) given by Sayos et al. [ R. Sayos, C. Oliva, M. Gonzalez, J. Chem. Phys. 117 (2002) 670]. The results indicate that the rotational polarizations of product NO on the two PESs present different characters for different collision energies. The product rotational angular momentum j' is not only aligned, but also oriented along the direction perpendicular to the scattering plane on the two PESs. On the (2)A' PES, the product NO mainly tends to be scattered forward as the collision energy increases. And on the (4)A' PES the product displays a switch from the near isotropic scattering to the forward one with the increase of collision energy. At the same collision energy, the product rotational angular momentum is more strongly aligned on the (4)A' FOES than on the (2)A' PES. These differences arise from the different constructions of the two PESs. (c) 2006 Elsevier B.V. All rights reserved.
关键词[WOS]: POTENTIAL-ENERGY SURFACES ;  PRODUCT ROTATIONAL POLARIZATION ;  ANGULAR-MOMENTUM POLARIZATION ;  N(S-4)+O-2 REACTION ;  CROSS-SECTIONS ;  RATE CONSTANTS ;  ATMOSPHERIC REACTION ;  AB-INITIO ;  BIMOLECULAR REACTIONS ;  CHEMICAL-REACTIONS
语种: 英语
WOS记录号: WOS:000240650900039
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140346
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Dalian Univ Technol, Dept Phys, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Ma, Jian-Jun,Chen, Mao-Du,Cong, Shu-Lin,et al. Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction[J]. CHEMICAL PHYSICS,2006,327(2-3):529-535.
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