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题名: Product rotational polarization in the photoinitiated bimolecular reaction A+BC -> AB+C on attractive, mixed and repulsive surfaces
作者: Wang, ML;  Han, KL;  He, GZ
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 1998-10-01
卷: 109, 期:13, 页:5446-5454
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: The product rotational polarization is reported using the quasiclassical trajectory method for the photoinitiated bimolecular reaction A+BC-->AB+C. The model takes the form of a 3D quasiclassical trajectory study of a hypothetical exothermic reaction employing combinations of (a): three different potential energy surfaces (attractive, mixed and repulsive), (b): three markedly different reagent mass combinations (H+HL, H+LL and H+HH, where L=1 amu and H=80 amu). Four PDDCSs (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(22+)/d omega(t)), and (2 pi/sigma) (d sigma(21-)/d omega(t)) which are usually sensitive to many photoinitiated bimolecular reaction experiments are presented. Furthermore, the distribution of dihedral angle P(phi(r)) and the distribution of angle between K and J' P(theta(r)) are discussed. Moreover, the angular distribution of product rotational vectors in the form of polar plots in theta(r) and phi(r) is calculated. (C) 1998 Americana Institute of Physics. [S0021-9606(98)00237-2].
关键词[WOS]: STATE-RESOLVED STEREODYNAMICS ;  DIFFERENTIAL-CROSS-SECTIONS ;  CHEMILUMINESCENT REACTION ;  ANGULAR-CORRELATIONS ;  CHEMICAL-REACTIONS ;  STATISTICAL-THEORY ;  EXCHANGE-REACTIONS ;  ALIGNMENT ;  ORIENTATION ;  DISTRIBUTIONS
语种: 英语
WOS记录号: WOS:000076152700033
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138516
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Wang, ML,Han, KL,He, GZ. Product rotational polarization in the photoinitiated bimolecular reaction A+BC -> AB+C on attractive, mixed and repulsive surfaces[J]. JOURNAL OF CHEMICAL PHYSICS,1998,109(13):5446-5454.
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