Theoretical study of isotope effects on the stereodynamics of H ⁺+HD and its isotopic variant D ⁺+HD

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 ¹A' 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(θ _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. [Figure not available: see fulltext.]