Stereodynamic control of nonadiabatic progresses in low-energy Be+(2P) + H2 (v = 0, j = 2) collisions

Abstract

Controlling the relative arrangement of colliding molecules is crucial to determine the dynamical outcomes of chemical processes and has emerged as a hot spot of experimental research. Here, the quantum scattering calculations are conducted to investigate the stereodynamic control in collisions between Be⁺(²P) and H₂ (v = 0, j = 2), which undergo nonadiabatic transitions to the electronic ground state. The stereodynamic preparation is achieved by controlling the initial alignment of the H₂ bond axis relative to the scattering frame. For product BeH⁺ in the reactive process, the differential cross sections (DCSs) are significantly enhanced in the forward and sideways hemispheres when the alignment angle β is 60°. For the product H₂ in the quenching channel, the β = 0° preparation can result in a more than one-fold increase in the DCS at the polar scattering angle of 0°. Furthermore, varying alignment angle β also have noteworthy effects on the rotational-state distributions of BeH⁺ products. Specifically, β = 0° preparation can induce the disappearance of the bimodal distribution of rotational states at a collision energy of 0.05 eV.