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arXiv · 2101.03796

Rainbow scattering in rotationally inelastic collisions of HCl and H$_2$

Masato Morita·Junxiang Zuo·Hua Guo·Naduvalath Balakrishnan
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Abstract

We examine rotational transitions of HCl in collisions with H$_2$ by carrying out quantum mechanical close-coupling and quasi-classical trajectory calculations on a recently developed globally accurate full-dimensional ab initio potential energy surface for the H$_3$Cl system. Signatures of rainbow scattering in rotationally inelastic collisions are found in the state resolved integral and differential cross sections as functions of the impact parameter (initial orbital angular momentum) and final rotational quantum number. We show the coexistence of distinct dynamical regimes for the HCl rotational transition driven by the short-range repulsive and long-range attractive forces whose relative importance depends on the collision energy and final rotational state suggesting that classification of rainbow scattering into rotational and $l$-type rainbows is effective for H$_2$+HCl collisions. While the quasi-classical trajectory method satisfactorily predicts the overall behavior of the rotationally inelastic cross sections, its capability to accurately describe signatures of rainbow scattering appears to be limited for the present system.

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Masato Morita, Junxiang Zuo, Hua Guo, Naduvalath Balakrishnan. 2021-01-11. Rainbow scattering in rotationally inelastic collisions of HCl and H$_2$. https://doi.org/10.1063/5.0043658

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