Ye Mao, Hanghang Chen, Zijiang Yang, bayaer buren, Maodu Chen
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Stereodynamic control of nonadiabatic progresses in low-energy Be+(2P) + H2 (v = 0, j = 2) collisions
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.
期刊介绍:
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions.
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