Vibrational relaxation of D2O induced by collision with He: A rigid bender close coupling study.
Vander Waals bound states
bending relaxation
inelastic scattering
potential energy surface
Journal
Chemphyschem : a European journal of chemical physics and physical chemistry
ISSN: 1439-7641
Titre abrégé: Chemphyschem
Pays: Germany
ID NLM: 100954211
Informations de publication
Date de publication:
23 May 2024
23 May 2024
Historique:
revised:
24
04
2024
received:
27
03
2024
accepted:
29
04
2024
medline:
23
5
2024
pubmed:
23
5
2024
entrez:
23
5
2024
Statut:
aheadofprint
Résumé
The vibrational relaxation of the first excited bending state ofD2O 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 D2O-He van der Waals complex and to perform scattering calculations. Colli- sion 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 D2O with other noble gases such as Ne and Ar. We also analyse the differences observed with respect to the H2O + He collisions and compare our results with experiment.
Identifiants
pubmed: 38780032
doi: 10.1002/cphc.202400353
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e202400353Informations de copyright
© 2024 Wiley‐VCH GmbH.