Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment

García-Vázquez, RM; Bergeat, A.; Denis-Alpizar O.; Faure, A; Stoecklin, T.; Morales, SB

Abstract

The rotational excitation of a singly deuterated water molecule (HDO) by a heavy atom (Ne) and a light diatomic molecule (H-2) is investigated theoretically and experimentally in the near-threshold regime. Crossed-molecular-beam measurements with a variable crossing angle are compared to close-coupling calculations based on high-accuracy potential energy surfaces. The two lowest rotational transitions, 0(00) -> 1(01) and 0(00) -> 1(11), are probed in detail and a good agreement between theory and experiment is observed for both transitions in the case of HDO + Ne, where scattering resonances are however blurred out experimentally. In the case of HDO + H-2, the predicted theoretical overlapping resonances are faithfully reproduced by experiment for the 0(00) -> 1(11) transition, while the calculated strong signal for the 0(00) -> 1(01) transition is not detected. Future work is needed to reconcile this discrepancy.

Más información

Título según WOS: Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment
Volumen: 251
Número: 0
Fecha de publicación: 2024
Página de inicio: 205
Página final: 224
Idioma: English
DOI:

10.1039/d3fd00168g

Notas: ISI