Stereodynamics of the O(~3P) with H2(D2) (ν=0,j=0) reaction

被引:1
|
作者
刘玉芳 [1 ]
和小虎 [1 ]
施德恒 [1 ]
孙金锋 [1 ]
机构
[1] Department of Physics,Henan Normal University
基金
中国国家自然科学基金;
关键词
quasi-classical trajectory method; O+H 2 reaction; reaction cross section; vector correlation;
D O I
暂无
中图分类号
O643.1 [化学动力学];
学科分类号
070304 ; 081704 ;
摘要
Quasi-classical trajectory theory is used to study the reaction of O(3 P) with H 2 (D 2) based on the ground 3 A″ potential energy surface (PES).The reaction cross section of the reaction O+H 2 →OH+H is in excellent agreement with the previous result.Vector correlations,product rotational alignment parameters P 2 (j · k) and several polarizeddependent differential cross sections are further calculated for the reaction.The product polarization distribution exhibits different characteristics that can be ascribed to different motion paths on the PES,arising from various collision energies or mass factors.
引用
收藏
页码:481 / 486
页数:6
相关论文
共 50 条
  • [1] Stereodynamics of the O(3P) with H2 (D2) (ν=0, j=0) reaction
    Liu Yu-Fang
    He Xiao-Hu
    Shi De-Heng
    Sun Jin-Feng
    [J]. CHINESE PHYSICS B, 2011, 20 (07)
  • [2] Theoretical study of stereodynamics for the O(3P) + H2 (ν=0-2, j=0) → OH plus H reaction
    Wei, Qiang
    Li, Xing
    Li, Tie
    [J]. CHEMICAL PHYSICS, 2010, 368 (1-2) : 58 - 61
  • [3] Theoretical study of stereodynamics for the reaction O(3P) +D2 (v=0, j=0) → OD plus D and isotope effect
    Xu Zeng-Hui
    Zong Fu-Jian
    [J]. CHINESE PHYSICS B, 2011, 20 (06)
  • [4] Theoretical study of stereodynamics for the reaction O(~3P)+D2(v= 0,j=0) → OD+D and isotope effect
    许增慧
    宗福建
    [J]. Chinese Physics B, 2011, 20 (06) : 193 - 200
  • [5] Effects of the collision energy on the stereodynamics of the reaction: S(3P) + H2 (v = 0, j = 0) → SH plus H
    Shan, Guangling
    Wang, Meishan
    Yang, Chuanlu
    Ma, Xiaoguang
    [J]. CHEMICAL PHYSICS, 2014, 429 : 51 - 56
  • [6] Chemical stereodynamics of the O(3P) + H2(v=0, j=0) → OH plus H reaction on the two lowest triplet electronic states
    Xu, Zenghui
    Zong, Fujian
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 960 (1-3): : 22 - 30
  • [7] Stereodynamics study of the O+ + D2 (ν = 0, j = 0-2) → OD+ + D reaction
    Chen, Jiawu
    Liu, Xinguo
    Zhang, Qinggang
    [J]. Canadian Journal of Chemistry, 2012, 90 (03) : 256 - 261
  • [8] THEORETICAL STUDIES OF STEREODYNAMICS FOR THE H+ + H2 (ν=0-3, j=0) → H2 + H+ REACTION
    Zhang, Cuihua
    Zhang, Wenqin
    Chen, Maodu
    [J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2009, 8 (03): : 403 - 415
  • [9] Stereodynamics study of the O+ + D2 (v=0, j=0-2) → OD+ + D reaction
    Chen, Jiawu
    Liu, Xinguo
    Zhang, Qinggang
    [J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 2012, 90 (03): : 256 - 261
  • [10] Stereodynamics Study of the Reaction of O(3P) with CH4 (v=0,j=0)
    Liu, Yufang
    Gao, Yali
    Zhai, Hongsheng
    Shi, Deheng
    Sun, Jinfeng
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2009, 10 (05): : 2146 - 2157