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Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction

文献类型:期刊论文

作者Ma, Jian-Jun; Chen, Mao-Du; Cong, Shu-Lin; Han, Ke-Li
刊名chemical physics
出版日期2006-09-11
卷号327期号:2-3页码:529-535
关键词quasiclassical trajectory vector correlations stereodynamics
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.
WOS标题词science & technology ; physical sciences
类目[WOS]chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]chemistry ; physics
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
收录类别SCI
语种英语
WOS记录号WOS:000240650900039
公开日期2015-11-17
源URL[http://159.226.238.44/handle/321008/140346]  
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.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
推荐引用方式
GB/T 7714
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.
APA Ma, Jian-Jun,Chen, Mao-Du,Cong, Shu-Lin,&Han, Ke-Li.(2006).Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction.chemical physics,327(2-3),529-535.
MLA Ma, Jian-Jun,et al."Stereodynamics study of the N(S-4)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction".chemical physics 327.2-3(2006):529-535.

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来源:大连化学物理研究所

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