• Title of article

    Effects of collision energy on stereodynamics of N(2D) + D2(X1Σg+) → ND(X3Σ−) + D(2S) reaction

  • Author/Authors

    Du، نويسنده , , Zhixiang and Yang، نويسنده , , Chuan-Lu and Wang، نويسنده , , Mei-Shan and Ma، نويسنده , , Xiao-Guang and Wang، نويسنده , , Li-Zhi، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    5
  • From page
    25
  • To page
    29
  • Abstract
    The stereodynamics of N(2D) + D2(X1Σg+) → ND(X3Σ−) + D(2S) reaction has been analyzed using quasi-classical trajectory calculations with new potential energy surface (Yang et al., 2013). In the present research, four generalized polarization-dependent differential cross-sections [(2π/σ)(dσ00/dωt), (2π/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), and (2π/σ)(dσ21−/dωt)] and distributions P(θr) and P(ϕr) were calculated. Effects of collision energy on the cross-sections and distributions were analyzed. Results show that the collision energy markedly influences the alignment effect of rotational angular momentum j′ of the product ND, but insignificantly affects the orientation effect. The tendency of forward scattering is enhanced, and backward scattering decreases with increasing collision energy.
  • Keywords
    vector correlation , Collision energy , Stereodynamics , Quasi-classical trajectory
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2014
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2287106