Theoretical study of isotope effects on the stereodynamics of H⁺+HD and its isotopic variant D⁺+HD
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1College of Physics Science and Technology, China University of Petroleum Dongying, Shandong 257061, People's Republic of China.
Abstract:
The stereodynamics for H(+)+HD and its isotopic variant D(+)+HD were studied with a quasi-classical trajectory (QCT) method at a collision energy of 0.7 eV on the ground 1(1)A' potential energy surface (PES). The polarization-dependent differential cross-sections (PDDCSs) in the center-of-mass frame are presented here. Furthermore, the distribution of the angle between k and j', p(θ ( r )) and the distribution of the dihedral angle p(ϕ ( r )) were calculated and are discussed. The results indicate that isotopic substitution exerts substantial effects on the differential cross-section and the product's rotational polarization.
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