摘要
We have carried out a quasi-classical trajectory calculation for the reaction ofNe ＋ H2＋ （v = 0, j = 1） → NeH＋ ＋ H on the ground state （12AI） using the LZHH potential energy surface constructed by L/i et al. [Lu S J, Zhang P Y, Han K L and He G Z 2010 J. Chem. Phys. 132 014303]. Differential cross sections at many collision energies indicate that the reaction is dominated by forward-scattering. In addition, the Nell＋ product shows rotationally hot and vibrationally cold distributions. Stereodynamical results indicate that the products are strongly polarized in the direction perpendicular to the scattering plane and that the products rotate mainly in planes parallel to the scattering plane.
We have carried out a quasi-classical trajectory calculation for the reaction ofNe ＋ H2＋ （v = 0, j = 1） → NeH＋ ＋ H on the ground state （12AI） using the LZHH potential energy surface constructed by L/i et al. [Lu S J, Zhang P Y, Han K L and He G Z 2010 J. Chem. Phys. 132 014303]. Differential cross sections at many collision energies indicate that the reaction is dominated by forward-scattering. In addition, the Nell＋ product shows rotationally hot and vibrationally cold distributions. Stereodynamical results indicate that the products are strongly polarized in the direction perpendicular to the scattering plane and that the products rotate mainly in planes parallel to the scattering plane.
基金
Project supported by the National Natural Science Foundation of China (Grant No.21073110)
the Independent Innovation Foundation of Shandong University of China (Grant No.10000059614011)
