A Rigid Bender Study of the Bending Relaxation of H2O and D2O by Collisions with Ar
Autor
García-Vázquez, Ricardo Manuel
Cabrera-González, Lisán David
Denis-Alpizar, Otoniel
Stoecklin, Thierry
Resumen
The 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. © 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
Colecciones
Ítems relacionados
Mostrando ítems relacionados por Título, autor o materia.
-
Article
Quantum study of the bending relaxation of H2O by collision with H (2024)
Cabrera-González, Lisán David; Denis-Alpizar, Otoniel; Páez-Hernández, Dayán; Stoecklin, Thierry (Oxford University Press, 2022)Vibrationally excited levels of the H2O molecule are currently detected in various environments of the interstellar medium (ISM), and collisional data for H2O, including vibration with the main colliders of the ISM, are ... -
Article
Relaxation of ArH+ by collision with He: Isotopic effects (2020)
García-Vázquez R.M.; Márquez-Mijares M.; Rubayo-Soneira J.; Denis-Alpizar O. (EDP Sciences, 2019) -
Article
Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment (2024)
García-Vázquez, Ricardo Manuel; Bergeat, Astrid; Denis-Alpizar, Otoniel; Faure, Alexandre; Stoecklin, Thierry; Morales, Sébastien B. (Royal Society of Chemistry, 2024)The rotational excitation of a singly deuterated water molecule (HDO) by a heavy atom (Ne) and a light diatomic molecule (H2) is investigated theoretically and experimentally in the near-threshold regime. Crossed-molecular-beam ...