Dynamics of the reaction of O with H-2 and its isotopic variants in different rotational excited states

作者：Liu Yu-Fang^*; Liu Yan-Lei; Liang Bin

来源：Chinese Physics B, 2012, 21(9): 098201.

DOI：10.1088/1674-1056/21/9/098201

• quasi-classical-trajectory calculation
• rotational excited state
• isotopic effect
• vector correlation

Scalar properties and vector correlations of the reactions of O+H-2 -> OH+H, O+HD -> OH+D, O+DH -> OD+H, and O+D-2 -> OD+D at collision energies of 25 and 34.6 kcal/mole have been studied via the quasi-classical-trajectory (QCT) method based on a BMS1 potential energy surface (PES). The generalized polarization-dependent differential cross section and the distributions of the dihedral angle at the collision energy of 34.6 kacl/mole are presented. The calculated results indicate that both the reagent rotational angular momentum and the mass factor have a significant influence on the scalar properties and vector correlations of the title reactions.

• 出版日期2012-9
• 单位河南师范大学