Ar+ ArH + Reactive Collisions of Astrophysical Interest: The Case of 36 Ar

The reactive collision between Ar and the ArH species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections as a function of the energy and rate constants in terms of th...

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Bibliographic Details
Published in:Chemphyschem 2023-10, Vol.24 (20), p.e202300450-e202300450
Main Authors: Montes de Oca-Estévez, María Judit, Darna, Beatriz, García-Ruiz, Borja, Prosmiti, Rita, González-Lezana, Tomás, Koner, Debasish
Format: Article
Language:English
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Summary:The reactive collision between Ar and the ArH species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections as a function of the energy and rate constants in terms of the temperature have been obtained. Cumulative distributions as a function of the collision time and the inspection of selected QCT corresponding to specific dynamical mechanisms have been analysed. Predictions by means of the SQM method are in good agreement with the QM results, thus supporting the complex-forming nature of the process.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202300450