Influence of Isotope Effects on Product Polarizations of N(~2D)+D2, N(~2D)+H2 and N(~2D)+HD Reactive Systems

被引：0
|
作者：
NIE Shan-shan1 and CHU Tian-shu1
2. Institute for Computational Sciences and Engineering
机构：
来源：
Chemical Research in Chinese Universities | 2012年 / 28卷 / 05期
基金：
中国国家自然科学基金;
关键词：
Isotope effect; Product polarization; Quasi-classical trajectory calculation; Potential energy surface;
D O I：
暂无
中图分类号：
O611.3 [性质];
学科分类号：
070301 ; 081704 ;
摘要：
To figure out the influence of isotope effect on product polarizations of the N(2D)+D2 reactive system and its isotope variants, quasi-classical trajectory(QCT) calculation was performed on Ho’s potential energy surface(PES) of 2A″ state. Product polarizations such as product distributions of P(θr), P(φr) and P(θr,φr), as well as the generalized polarization-dependent differential cross sections(PDDCSs) were discussed and compared in detail among the four product channels of the title reactions. Both the intermolecular and intramolecular isotope effects were proved to be influential on product polarizations.
引用
收藏
页码：897 / 902
页数：6
相关论文
共 50 条
  • [1] Influence of Isotope Effects on Product Polarizations of N(2D)+D2, N(2D)+H2 and N(2D) plus HD Reactive Systems
    Nie Shan-shan
    Chu Tian-shu
    [J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES, 2012, 28 (05) : 897 - 902
  • [2] VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(2D) + D2 → ND → D REACTIVE SYSTEM
    Nie, Shanshan
    Chu, Tianshu
    [J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2012, 11 (05): : 1005 - 1018
  • [3] Theoretical Study on Stereodynamics of Reactions of N(2D)+H2→NH+H and N(2D)+D2→ND+D
    Yue, Xian-fang
    Cheng, Jie
    Feng, Hai-ran
    Li, Hong
    Wu, Emilia L.
    [J]. CHINESE JOURNAL OF CHEMICAL PHYSICS, 2010, 23 (04) : 381 - 386
  • [4] Experimental and theoretical studies of the N(2D) + H2 and D2 reactions
    Nunez-Reyes, Dianailys
    Bray, Cedric
    Hickson, Kevin M.
    Larregaray, Pascal
    Bonnet, Laurent
    Gonzalez-Lezana, Tomas
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (41) : 23609 - 23617
  • [5] QUASI-CLASSICAL TRAJECTORY STUDY OF THE REACTIONS N(2D) WITH H2, D2, AND HD
    Yue, Xian-Fang
    Cheng, Jie
    Zhang, Hong
    [J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2010, 9 (05): : 919 - 924
  • [6] Quasi-classical trajectory study of the N(2D) + H2 → NH + H and N(2D) + D2 → ND plus D reactions: Vector correlation
    Yue, Xian-Fang
    Zhang, Yong-Qiang
    Feng, Hai-Ran
    Wu, Emilia L.
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 955 (1-3): : 61 - 65
  • [7] The effect of intersystem crossings in N(2D) + H2 collisions
    Galvao, B. R. L.
    Poveda, L. A.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2015, 142 (18):
  • [8] N(~2D)+H2(D2,HD)反应的积分截面与产物转动取向研究
    岳现房
    [J]. 济宁学院学报, 2010, 31 (06) : 9 - 11
  • [9] 2D or not 2D?
    [J]. Nature Chemistry, 2014, 6 : 747 - 747
  • [10] 2D or not 2D?
    Ross H. McKenzie
    [J]. Nature Physics, 2007, 3 : 756 - 758
12345