دورية أكاديمية

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

التفاصيل البيبلوغرافية
العنوان: Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2
المؤلفون: Astrid Bergeat, Alexandre Faure, Laurent Wiesenfeld, Chloé Miossec, Sébastien B. Morales, Christian Naulin
المصدر: Molecules, Vol 27, Iss 21, p 7535 (2022)
بيانات النشر: MDPI AG, 2022.
سنة النشر: 2022
المجموعة: LCC:Organic chemistry
مصطلحات موضوعية: inelastic collisions, cross-sections, water, hydrogen, Organic chemistry, QD241-441
الوصف: 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.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 1420-3049
Relation: https://www.mdpi.com/1420-3049/27/21/7535; https://doaj.org/toc/1420-3049
DOI: 10.3390/molecules27217535
URL الوصول: https://doaj.org/article/750278a23baa442ca7d77598fac5a341
رقم الأكسشن: edsdoj.750278a23baa442ca7d77598fac5a341
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:14203049
DOI:10.3390/molecules27217535