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

Author:

Montes de Oca‐Estévez María Judit123,Darna Beatriz4,García‐Ruiz Borja1,Prosmiti Rita1ORCID,González‐Lezana Tomás1ORCID,Koner Debasish5ORCID

Affiliation:

1. Instituto de Física Fundamental IFF-CSIC Serrano 123 28006 Madrid Spain

2. Atelgraphics S.L. Mota de Cuervo 42 28043 Madrid Spain

3. Doctoral Programme in Theoretical Chemistry and Computational Modelling Doctoral School UAM Madrid Spain

4. Faculty of Science KU Leuven Celestijnenlaan 200H box 2100, 3001 Heverlee Leuven Belgium

5. Department of Chemistry Indian Institute of Technology Hyderabad Kandi Sangareddy 502284 Telangana India

Abstract

AbstractThe 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.

Funder

Comunidad de Madrid

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

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