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Article

Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2

by
Astrid Bergeat
1,*,
Alexandre Faure
2,
Laurent Wiesenfeld
3,
Chloé Miossec
1,
Sébastien B. Morales
1 and
Christian Naulin
1
1
Univ. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, France
2
Univ. Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, France
3
Laboratoire Aimé-Cotton, CNRS, Université Paris-Saclay, Bât 505, F-91405 Orsay, France
*
Author to whom correspondence should be addressed.
Molecules 2022, 27(21), 7535; https://doi.org/10.3390/molecules27217535
Submission received: 21 September 2022 / Revised: 28 October 2022 / Accepted: 29 October 2022 / Published: 3 November 2022
(This article belongs to the Special Issue Molecular Reactivity: Theoretical Study and Interpretation of Experimental Results)
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Abstract

We present a combined experimental and theoretical study on the rotationally inelastic scattering of heavy water, D2O, with normal-H2. Crossed-molecular beam measurements are performed in the collision energy range between 10 and 100 cm−1, corresponding to the near-threshold regime in which scattering resonances are most pronounced. State-to-state excitation cross-sections are obtained by probing three low-lying rotational levels of D2O using the REMPI technique. These measurements are complemented by quantum close-coupling scattering calculations based on a high-accuracy D2O–H2 interaction potential. The agreement between experiment and theory is within the experimental error bars at 95% confidence intervals, leading to a relative difference of less than 7%: the near-threshold rise and the overall shape of the cross-sections, including small undulations due to resonances, are nicely reproduced by the calculations. Isotopic effects (D2O versus H2O) are also discussed by comparing the shape and magnitude of the respective cross-sections.
Keywords: inelastic collisions; cross-sections; water; hydrogen inelastic collisions; cross-sections; water; hydrogen

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MDPI and ACS Style

Bergeat, A.; Faure, A.; Wiesenfeld, L.; Miossec, C.; Morales, S.B.; Naulin, C. Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2. Molecules 2022, 27, 7535. https://doi.org/10.3390/molecules27217535

AMA Style

Bergeat A, Faure A, Wiesenfeld L, Miossec C, Morales SB, Naulin C. Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2. Molecules. 2022; 27(21):7535. https://doi.org/10.3390/molecules27217535

Chicago/Turabian Style

Bergeat, Astrid, Alexandre Faure, Laurent Wiesenfeld, Chloé Miossec, Sébastien B. Morales, and Christian Naulin. 2022. "Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2" Molecules 27, no. 21: 7535. https://doi.org/10.3390/molecules27217535

APA Style

Bergeat, A., Faure, A., Wiesenfeld, L., Miossec, C., Morales, S. B., & Naulin, C. (2022). Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2. Molecules, 27(21), 7535. https://doi.org/10.3390/molecules27217535

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