中国物理B ›› 2012, Vol. 21 ›› Issue (4): 43101-043101.doi: 10.1088/1674-1056/21/4/043101

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肖静,杨传路,王美山   

  • 收稿日期:2010-11-01 修回日期:2011-10-11 出版日期:2012-02-29 发布日期:2012-02-29
  • 通讯作者: 杨传路, E-mail:yangchuanlu@263.net E-mail:yangchuanlu@263.net

Stereodynamics of the reactions Ne+H2+ /Ne+D2+/Ne+T2

Xiao Jing(肖静), Yang Chuan-Lu(杨传路), and Wang Mei-Shan(王美山)   

  1. School of Physics, Ludong University, Yantai 264025, China
  • Received:2010-11-01 Revised:2011-10-11 Online:2012-02-29 Published:2012-02-29
  • Contact: Yang Chuan-Lu, E-mail:yangchuanlu@263.net E-mail:yangchuanlu@263.net
  • Supported by:
    Project supported by the National Natural Science Foundation of China(Grant Nos.NSFC-11174117 and NSFC-10974078)

Abstract: The vector correlations between products and reagents for the reactions Ne+H$_{2}^{ + }$, Ne+D$_{2}^{ + }$, and Ne+T$_{2}^{ + }$ are calculated by means of the quasi-classical trajectory method on a new potential energy surface constructed by Lü et al. [J. Chem. Phys. 2010 132, 014303]. The polarization-dependent differential cross-sections ($2\pi /\sigma )({\rm d}\sigma _{00}/{\rm d}\omega _{t})$, ($2\pi /\sigma )({\rm d}\sigma  _{20}/{\rm d}\omega _{t})$, ($2\pi /\sigma )({\rm d}\sigma_{22+} /{\rm d}\omega _{t})$, and ($2\pi /\sigma )({\rm d}\sigma _{21 - }/{\rm d}\omega _{t})$, and the distributions of $P(\theta _r)$, $P(\phi _r )$, and $P(\theta _r$, $\phi _r)$ are  calculated. The isotopic effect, which is associated with the difference in mass factor among the three reactions, is revealed.

Key words: stereodynamics, quasi-classical trajectory, isotoπc effect, vector correlation

中图分类号:  (Polarizabilities and other atomic and molecular properties)

  • 31.15.ap
34.50.Lf (Chemical reactions) 31.15.xv (Molecular dynamics and other numerical methods)