Volume 251, 2024

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

Abstract

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 measurements with a variable crossing angle are compared to close-coupling calculations based on high-accuracy potential energy surfaces. The two lowest rotational transitions, 000 → 101 and 000 → 111, 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 + H2, the predicted theoretical overlapping resonances are faithfully reproduced by experiment for the 000 → 111 transition, while the calculated strong signal for the 000 → 101 transition is not detected. Future work is needed to reconcile this discrepancy.

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

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
12 Dec 2023
Accepted
30 Jan 2024
First published
01 Feb 2024
This article is Open Access
Creative Commons BY-NC license

Faraday Discuss., 2024,251, 205-224

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

R. M. García-Vázquez, A. Bergeat, O. Denis-Alpizar, A. Faure, T. Stoecklin and S. B. Morales, Faraday Discuss., 2024, 251, 205 DOI: 10.1039/D3FD00168G

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements