TY - JOUR
T1 - The Effects of Collision Energy and Isotope on Stereodynamics for the Reactions $O^++H_2/D_2/T_2$
AU - Wang , Yanjie
AU - Liu , Xinguo
AU - Li , Hongzheng
AU - Li , Qi
AU - Chen , Jiawu
AU - Zhang , Qinggang
JO - Journal of Atomic and Molecular Sciences
VL - 4
SP - 254
EP - 262
PY - 2015
DA - 2015/06
SN - 6
DO - http://doi.org/10.4208/jams.091815.102515a
UR - https://global-sci.org/intro/article_detail/jams/8280.html
KW - Stereodynamics, Vector correlation, Quasi-classical trajectory method, Polarization-dependent differential cross-section, Isotope effect.
AB - <p style="text-align: justify;">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.</p>