Spectra of Rg-water dimers in the region of the D <sub>2</sub> O ν <sub>3</sub> asymmetric stretch (Rg = Ar, Kr, Xe)

Glorieux, Robin;Barclay, A. J.;Lauzin, Clément;McKellar, A. R. W.;Moazzen-Ahmadi, N.
(2023) Molecular Physics : an international journal at the interface between chemistry and physics — Vol. 1, n° 1, p. 1-24 (2023)

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Authors
  • Glorieux, RobinUCLouvain
    Author
  • Barclay, A. J.Department of Physics and Astronomy, University of Calgary, 2500 University Drive North West, Calgary, Alberta T2N 1N4, Canada
    Author
  • Author
  • McKellar, A. R. W.National Research Council of Canada, Ottawa, Ontario K1A 0R6, Canada
    Author
  • Moazzen-Ahmadi, N.orcid-logoDepartment of Physics and Astronomy, University of Calgary, 2500 University Drive North West, Calgary, Alberta T2N 1N4, Canada
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Abstract
Spectra of rare gas (Rg) – D2O dimers (Rg = Ar, Kr, Xe) are studied in the region of the D2O ν3 asymmetric stretch (≈2800 cm−1), using a rapid-scan tunable infrared optical parametric oscillator source to probe a pulsed supersonic slit jet expansion. Three bands are observed in each case, labelled according to the D2O rotational transition with which they correlate as: Σ(101) ← Σ(000), Π(101) ← Σ(000), and Σ(000) ← Σ(101). The Ar-D2O bands exhibit various perturbations and line broadening effects. For Kr-D2O, the Π(101) ← Σ(000) and Σ(000) ← Σ(101) bands are simple and relatively unperturbed with almost no resolved Kr isotope structure, while the Σ(101) ← Σ(000) band is highly perturbed and shows large isotope splittings. This latter perturbation is analyzed in detail with good results. For Xe-D2O, the experimental spectra are unfortunately weaker. Analysis of the Π(101) ← Σ(000) and Σ(000) ← Σ(101) bands is again relatively straightforward, but the Σ(101) ← Σ(000) band is even more perturbed than for Kr-D2O and its analysis proves impossible. Line broadening (for Ar-D2O) and vibrational frequency shift effects are described.
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Glorieux, R., Barclay, A. J., Lauzin, C., McKellar, A. R. W., & Moazzen-Ahmadi, N. (2023). Spectra of Rg-water dimers in the region of the D <sub>2</sub> O ν <sub>3</sub> asymmetric stretch (Rg = Ar, Kr, Xe). Molecular Physics : an international journal at the interface between chemistry and physics, 1(1), 1-24. https://doi.org/10.1080/00268976.2023.2259012 (Original work published 2023)