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

The reactive collision between 36Ar and the 36ArH+ 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...

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Bibliographic Details
Published in:	Chemphyschem Vol. 24; no. 20; p. e202300450
Main Authors:	Montes de Oca-Estévez, María Judit, Darna, Beatriz, Ruiz, Borja García, Prosmiti, Rita, González-Lezana, Tomás, Koner, Debasish
Format:	Journal Article
Language:	English
Published:	Germany Wiley Subscription Services, Inc 17-10-2023
Subjects:	Quantum mechanics Rate constants Astrophysical molecular processes Statistical methods Reaction Dynamics Quasiclassical Trajectory calculation Quantum mechanical methods
Online Access:	Get full text
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Summary:	The reactive collision between 36Ar and the 36ArH+ 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