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Article Dans Une Revue Molecules Année : 2022

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

Résumé

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.

Dates et versions

hal-03875820 , version 1 (28-11-2022)

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Astrid Bergeat, Alexandre Faure, Laurent Wiesenfeld, Chloé Miossec, Sébastien B. Morales, et al.. Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2. Molecules, 2022, 27 (21), pp.7535. ⟨10.3390/molecules27217535⟩. ⟨hal-03875820⟩
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