The Effects of Collision Energy and Isotope on Stereodynamics for the Reactions $O^++H_2/D_2/T_2$

Authors

  • Yanjie Wang School of Physics and Electronics, Shandong Normal University, Jinan 250014, the People’s Republic of China
  • Xinguo Liu School of Physics and Electronics, Shandong Normal University, Jinan 250014, the People’s Republic of China
  • Hongzheng Li School of Physics and Electronics, Shandong Normal University, Jinan 250014, the People’s Republic of China
  • Qi Li School of Electronic and Information, Xi’an Polytechnic University, Xi’an 710048, China
  • Jiawu Chen School of Physics and Electronics, Shandong Normal University, Jinan 250014, the People’s Republic of China
  • Qinggang Zhang School of Physics and Electronics, Shandong Normal University, Jinan 250014, the People’s Republic of China

DOI:

https://doi.org/10.4208/jams.091815.102515a

Keywords:

Stereodynamics, Vector correlation, Quasi-classical trajectory method, Polarization-dependent differential cross-section, Isotope effect.

Abstract

The vector correlations between products and reagents for the chemical reactions $O^++H_2/D_2/T_2$ at different collision energies (1.0eV-2.8eV) have been studied by means of the quasi-classical trajectory (QCT) method based on the RODRIGO potential energy surface(PES) [Rodrigo et al 2004 J. Chem. Phys. 120 4705]. The four generalized polarization-dependent differential cross-sections (PDDCSs)$(2\pi/σ)(dσ_{00}/dω_t),$ $(2\pi/σ)(dσ_{20}/dω_t),$ $(2\pi/σ)(dσ_{22+}/dω_t)$ and $(2\pi/σ)(dσ_{21-}/dω_t)$ have also been calculated at seven different collision energies respectively. The isotope effect comparing with the effect of collision energies has been discussed further. The results indicate that the reaction is sensitive to the mass factors. Meanwhile the collision energies have a greater effect than the mass factors.

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Published

2015-06-01

Issue

Vol. 6 No. 4 (2015)

Section

Articles