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

ABSTRACT

Controlling the relative arrangement of colliding molecules is crucial for determining 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. 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 ß is 60°. For the product H2 in the quenching channel, the ß = 0° preparation can result in a more than one-fold increase in the DCS at a polar scattering angle of 0°. Furthermore, varying the alignment angle ß also has noteworthy effects on the rotational-state distributions of BeH+ products. Specifically, ß = 0° preparation can induce the disappearance of the bimodal distribution of rotational states at a collision energy of 0.05 eV.