A Rigid Bender Study of the Bending Relaxation of H<sub>2</sub>O and D<sub>2</sub>O by Collisions with Ar-Reference-Cited by-同舟云学术

A Rigid Bender Study of the Bending Relaxation of H₂O and D₂O by Collisions with Ar

Published:2024-03-28 Issue:10 Volume:25 Page:
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

García‐Vázquez Ricardo Manuel¹,Cabrera‐González Lisán David²,Denis‐Alpizar Otoniel³^ORCID,Stoecklin Thierry¹

Affiliation:

1. UMR5255-CNRS Université de Bordeaux 351 cours de la libération F-33405 Talence France

2. Department of Chemistry The University of Manchester Oxford Road Manchester M13 9PL UK

3. Grupo de Investigación en Física Aplicada Instituto de Ciencias Aplicadas Facultad de Ingeniería Universidad Autónoma de Chile Av. Pedro de Valdivia 425 Providencia Santiago Chile

Abstract

AbstractThe bending relaxation of H2O and D2O by collisions with Ar is studied at the Close Coupling level. Two new 4D PES are developed for these two systems. They are tested by performing rigid rotor calculations as well as by computing the D2O−Ar bound states. The results are compared with available theoretical and experimental data. Propensity rules for the dynamics are discussed and compared to those of H2O colliding with Ne or He. The bending relaxation cross sections and rates are then calculated for these two systems. The results are analysed and compared with available experimental data.

Publisher

Wiley

Reference36 articles.

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