Influence of the reagent vibration on the stereodynamics of the reactions D-+H2 and H-+D2

被引:9
作者
Chen Xiao-Qiong [1 ]
Wang Mei-Shan [1 ]
Yang Chuan-Lu [1 ]
Wu Ji-Cheng [1 ]
机构
[1] Ludong Univ, Sch Phys, Key Lab Atom & Mol Phys Shandong Prov, Yantai 264025, Peoples R China
基金
中国国家自然科学基金;
关键词
quasi-classical trajectory; generalized polarization dependent differential cross sections; stereodynamics; vector correlation; PRODUCT ROTATIONAL POLARIZATION; QUANTUM DYNAMICS; CROSS-SECTIONS; COLLISIONS; H-+H-2; PLUS; J=0); H-2;
D O I
10.1088/1674-1056/21/2/023402
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Employing the quasi-classical trajectory method and the potential energy surface of Panda and Sathyamurhy [ Panda A N and Sathyamurthy N 2004 J. Chem. Phys. 121 9343], the effect of the reagent vibration on vector correlation of the ion-molecule reactions D- + H-2 and H- + D-2 is studied at a collision energy of 35.7 kcal/mol. Four generalized polarization-dependent differential cross sections (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)) are presented in the centre-of-mass reference frame, separately. At the same time, the effects on the product angular distributions P(theta(r)), P(phi(r)) and P(theta(r), phi(r)) of the title reactions are also analysed. The calculated results show that the scattering tendencies of the product HD, the alignment and the orientation of j' sensitively depend on reagent molecule vibration.
引用
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页数:6
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共 32 条
  • [1] Product rotational polarization in photon-initiated bimolecular reactions
    Aoiz, FJ
    Brouard, M
    Enriquez, PA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (12) : 4964 - 4982
  • [2] Theoretical study of stereodynamics for the reactions Cl+H2/HD/D2
    Chen, MD
    Han, KL
    Lou, NQ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (10) : 4463 - 4470
  • [3] Theoretical studies of product polarization and state distributions of the H+HCl reaction
    Chen, MD
    Han, KL
    Lou, NQ
    [J]. CHEMICAL PHYSICS, 2002, 283 (03) : 463 - 472
  • [4] Vector correlation in the H+D2 reaction and its isotopic variants:: isotope effect on stereodynamics
    Chen, MD
    Han, KL
    Lou, NQ
    [J]. CHEMICAL PHYSICS LETTERS, 2002, 357 (5-6) : 483 - 490
  • [5] Effect of Coriolis coupling in chemical reaction dynamics
    Chu, Tian-Shu
    Han, Ke-Li
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (18) : 2431 - 2441
  • [6] The time-dependent quantum wave packet approach to the electronically nonadiabatic processes in chemical reactions
    Chu, Tian-Shu
    Zhang, Yan
    Han, Ke-Li
    [J]. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2006, 25 (1-2) : 201 - 235
  • [7] Theoretical studies of the stereodynamics for the reaction H plus LiH +(v=0, j=0) Li++H2
    Duan, Lihua
    Zhang, Wenqin
    Xu, Xuesong
    Cong, Shulin
    Chen, Maodu
    [J]. MOLECULAR PHYSICS, 2009, 107 (23-24) : 2579 - 2585
  • [8] Effect of location of energy barrier on the product alignment of reaction A+BC
    Han, KL
    He, GZ
    Lou, NQ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (19) : 8699 - 8704
  • [9] HAN KL, 1989, CHIN J CHEM PHYS, V2, P323
  • [10] Correlation quantum dynamics between an electron and D2+ molecule with attosecond resolution -: art. no. 123001
    Hu, J
    Han, KL
    He, GZ
    [J]. PHYSICAL REVIEW LETTERS, 2005, 95 (12)