Infrared-active vibron bands associated with rare gas atom dopants isolated in solid parahydrogen

We report high-resolution infrared absorption spectroscopic studies of the dopant-induced Q₁(0) vibron band in solid parahydrogen crystals doped with low concentrations of rare gas atoms. The frequency, lineshape, and integrated absorption coefficient for the rare gas atom-induced Q₁(0) vibron ban...

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Bibliographic Details
Date:2007
Main Authors: Raston, P.L., Anderson, D.T.
Format: Article
Language:English
Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2007
Series:Физика низких температур
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Online Access:http://dspace.nbuv.gov.ua/handle/123456789/121780
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Journal Title:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:Infrared-active vibron bands associated with rare gas atom dopants isolated in solid parahydrogen / P.L. Raston, D.T. Anderson // Физика низких температур. — 2007. — Т. 33, № 6-7. — С. 653-660. — Бібліогр.: 44 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine
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Summary:We report high-resolution infrared absorption spectroscopic studies of the dopant-induced Q₁(0) vibron band in solid parahydrogen crystals doped with low concentrations of rare gas atoms. The frequency, lineshape, and integrated absorption coefficient for the rare gas atom-induced Q₁(0) vibron band are measured for Ne, Ar, Kr, and Xe. The observed lineshapes and peak maxima frequencies are sensitive to the H₂ vibrational dependence of the dopant-H₂ isotropic intermolecular potential. Trends observed for Ar, Kr and Xe indicate the vibrational dependence is strong enough for Xe to trap the infrared-active vibron in its first solvation shell while for Ar the vibron remains delocalized. The Ne-induced feature displays a qualitatively different lineshape which is attributed to the weak intramolecular vibrational dependence of the Ne–H₂ intermolecular potential relative to the H₂–H₂ interaction. The lineshapes of the Ar, Kr, and Xe dopant-induced Q₁(0) pure vibrational features agree well with recent first principles calculations.