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
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
Journal title :
Computational and Theoretical Chemistry