Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub>
We present a combined experimental and theoretical study on the rotationally inelastic scattering of heavy water, D<sub>2</sub>O, with <i>normal</i>-H<sub>2</sub>. Crossed-molecular beam measurements are performed in the collision energy range between 10 and 100 c...
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MDPI AG
2022-11-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/21/7535 |
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| author | Astrid Bergeat Alexandre Faure Laurent Wiesenfeld Chloé Miossec Sébastien B. Morales Christian Naulin |
| author_facet | Astrid Bergeat Alexandre Faure Laurent Wiesenfeld Chloé Miossec Sébastien B. Morales Christian Naulin |
| author_sort | Astrid Bergeat |
| collection | DOAJ |
| description | We present a combined experimental and theoretical study on the rotationally inelastic scattering of heavy water, D<sub>2</sub>O, with <i>normal</i>-H<sub>2</sub>. Crossed-molecular beam measurements are performed in the collision energy range between 10 and 100 cm<sup>−1</sup>, 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 D<sub>2</sub>O using the REMPI technique. These measurements are complemented by quantum close-coupling scattering calculations based on a high-accuracy D<sub>2</sub>O–H<sub>2</sub> 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 (D<sub>2</sub>O versus H<sub>2</sub>O) are also discussed by comparing the shape and magnitude of the respective cross-sections. |
| first_indexed | 2024-03-09T18:48:00Z |
| format | Article |
| id | doaj.art-750278a23baa442ca7d77598fac5a341 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T18:48:00Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-750278a23baa442ca7d77598fac5a3412023-11-24T06:05:45ZengMDPI AGMolecules1420-30492022-11-012721753510.3390/molecules27217535Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub>Astrid Bergeat0Alexandre Faure1Laurent Wiesenfeld2Chloé Miossec3Sébastien B. Morales4Christian Naulin5Univ. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, FranceUniv. Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, FranceLaboratoire Aimé-Cotton, CNRS, Université Paris-Saclay, Bât 505, F-91405 Orsay, FranceUniv. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, FranceUniv. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, FranceUniv. Bordeaux, CNRS, Bordeaux INP, ISM, UMR 5255, F-33400 Talence, FranceWe present a combined experimental and theoretical study on the rotationally inelastic scattering of heavy water, D<sub>2</sub>O, with <i>normal</i>-H<sub>2</sub>. Crossed-molecular beam measurements are performed in the collision energy range between 10 and 100 cm<sup>−1</sup>, 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 D<sub>2</sub>O using the REMPI technique. These measurements are complemented by quantum close-coupling scattering calculations based on a high-accuracy D<sub>2</sub>O–H<sub>2</sub> 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 (D<sub>2</sub>O versus H<sub>2</sub>O) are also discussed by comparing the shape and magnitude of the respective cross-sections.https://www.mdpi.com/1420-3049/27/21/7535inelastic collisionscross-sectionswaterhydrogen |
| spellingShingle | Astrid Bergeat Alexandre Faure Laurent Wiesenfeld Chloé Miossec Sébastien B. Morales Christian Naulin Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> Molecules inelastic collisions cross-sections water hydrogen |
| title | Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> |
| title_full | Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> |
| title_fullStr | Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> |
| title_full_unstemmed | Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> |
| title_short | Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D<sub>2</sub>O with <i>Normal</i>-H<sub>2</sub> |
| title_sort | near threshold and resonance effects in rotationally inelastic scattering of d sub 2 sub o with i normal i h sub 2 sub |
| topic | inelastic collisions cross-sections water hydrogen |
| url | https://www.mdpi.com/1420-3049/27/21/7535 |
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