Vibrational Relaxation of D 2 O Induced by Collision with He: A Rigid Bender Close Coupling Study

The vibrational relaxation of the first excited bending state of D O induced by collision with He is studied at the close coupling level and using the Rigid Bender approximation. A new 4D potential energy surface is calculated and reported for this system. It is then used to determine the low-lying...

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Bibliographic Details
Published in:Chemphyschem 2024-08, Vol.25 (15), p.e202400353
Main Authors: García-Vázquez, Ricardo Manuel, Cabrera-González, Lisán David, Alpizar, Otoniel Denis, Stoecklin, Thierry
Format: Article
Language:English
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Chemical Sciences
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Summary:The vibrational relaxation of the first excited bending state of D O induced by collision with He is studied at the close coupling level and using the Rigid Bender approximation. A new 4D potential energy surface is calculated and reported for this system. It is then used to determine the low-lying bound states of the D O-He van der Waals complex and to perform scattering calculations. Collision rates are determined for pure rotational transitions as well as for rovibrational transitions within the first excited bending state. The results are compared with those obtained for the collision of D O with other noble gases such as Ne and Ar. We also analyse the differences observed with respect to the H O+He collisions and compare our results with experiment.
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202400353