Spectra of CO₂-Rg₂ and CO₂-Rg-He trimers (Rg = Ne, Ar, Kr, and Xe): Intermolecular CO₂ rock, vibrational shifts and three-body effects

Par Conseil national de recherches du Canada

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DOI	Trouver le DOI : https://doi.org/10.1063/5.0128133
Auteur	Rechercher : Barclay, A. J.; Rechercher : McKellar, A. R. W.¹Identifiant ORCID : https://orcid.org/0000-0001-5409-2690; Rechercher : Moazzen-Ahmadi, N.Identifiant ORCID : https://orcid.org/0000-0001-8307-3480
Affiliation	Conseil national de recherches du Canada. Technologies de sécurité et de rupture
Bailleur de fonds	Rechercher : Natural Sciences and Engineering Research Council of Canada
Format	Texte, Article
Sujet	Ab-initio methods; vibrational states; optical parametric oscillators; electromagnetism; physics of gases; rotational spectra; atomic properties; infrared spectroscopy; centrifugal distortion
Résumé	Weakly bound CO₂-Rg₂ trimers are studied by high-resolution (0.002 cm⁻¹) infrared spectroscopy in the region of the CO₂ ν₃ fundamental band (≈2350 cm⁻¹), using a tunable optical parametric oscillator to probe a pulsed supersonic slit jet expansion with an effective rotational temperature of about 2 K. CO₂–Ar₂ spectra have been reported previously, but they are extended here to include Rg = Ne, Kr, and Xe as well as new combination and hot bands. For Kr and Xe, a unified scaled parameter scheme is used to account for the many possible isotopic species. Vibrational shifts of CO₂-Rg₂ trimers are compared to those of CO₂-Rg dimers, and in all cases the trimer shifts are slightly more positive (blue-shifted) than expected on the basis of linear extrapolation from the dimer. Combination bands directly measure an intermolecular vibrational mode (the CO₂ rock) and give values of about 32.2, 33.8, and 34.7 cm⁻¹ for CO₂–Ar₂, –Kr₂, and –Xe₂. Structural parameters derived for CO₂-Rg₂ trimers are compared with those of CO₂-Rg and Rg₂ dimers. Spectra of the mixed trimers CO₂-Rg-He are also reported.
Date de publication	2022-11-22
Maison d’édition	AIP Publishing
Licence	This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing https://publishing.aip.org/resources/researchers/rights-and-permissions/sharing-content-online/
Dans	The Journal of Chemical Physics 157, nº 20, 204303 (22 novembre 2022).
Langue	anglais
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Identificateur de l’enregistrement	b65241fc-79b5-4c6f-a0d4-0242648a344a
Enregistrement créé	2024-01-19
Enregistrement modifié	2024-01-22

Date de modification :: 2024-09-28