A quasiclassical trajectory analysis of stereodynamics of the H plus FCl (v=0-3, j=0-3) -> HCl plus F reaction

作者：Yue Xian Fang^*; Miao Xiangyang

来源：Journal of Chemical Sciences, 2011, 123(1): 21-27.

• Quasiclassical trajectory method
• chemical stereodynamics
• polarization-dependent differential cross sections

The chemical stereodynamics for the title reaction are studied by the quasiclassical trajectory method. Employing the recent works of Deskevich,, Hayes, Takahashi, Skodje, and Nesbitt (DHTSN) potential energy surface of the ground 1(2)A' electronic state, the present work calculates the polarization-dependent differential cross sections and the three angular distributions which describe the vector correlations among the product angular momentum j' and the reagent and the product initial relative velocities k and k'. The effect of vibrational and rotational excitations for the reagent FCl and the influence of collision energies on the stereodynamical quantities are also investigated and discussed.

• 出版日期2011-1
• 单位济宁学院; 山西师范大学