Quantum stereodynamical control on the Mg+(2S) + HD (v = 1, j = 1) → MgH+/ MgD+ + D/H reaction

Abstract

Here, we investigate the stereodynamical control on the Mg⁺(²S) + HD (v = 1, j = 1) → MgH⁺/ MgD⁺ + D/H reaction using time-dependent wavepacket method. The result shows that the alignment of the molecule (β) leads to significant effects on both product channels within the collision energy range of 2.50–4.00 eV. The parallel configuration (β = 0°) suppresses the formation of MgH⁺ product while enhancing the formation of MgD⁺ product, whereas the perpendicular configuration (β = 90°) preferentially promotes the generation of MgH⁺ product. Effective control over the product cross-section branching ratio can also be achieved by changing β. The analysis of the differential cross-section reveals that stereodynamical control primarily affects the forward scattering in the MgH⁺ channel and the backward scattering in the MgD⁺ channel. Compared to the parallel configuration, the perpendicular alignment leads products into higher ro-vibrational states.