2014
DOI: 10.1063/1.4866913
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Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng = Kr and Xe)

Abstract: We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H−Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H−Xe stretching frequencies of HXeCl in different matrices is ν(Ne) < ν(Xe) < ν(Kr) < ν(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the "classical" order ob… Show more

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Cited by 22 publications
(28 citation statements)
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“…Evidently, the details of interactions between the embedded molecule and the matrix atoms have changed. Thus, the order of the H-Xe stretching frequencies observed previously for HXeCl, HXeBr, and HXeCCH (ν(Xe) < ν(Kr) < ν(Ar)) 4,6,8,9 is not common for noble-gas hydrides.…”
Section: Concluding Discussionmentioning
confidence: 86%
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“…Evidently, the details of interactions between the embedded molecule and the matrix atoms have changed. Thus, the order of the H-Xe stretching frequencies observed previously for HXeCl, HXeBr, and HXeCCH (ν(Xe) < ν(Kr) < ν(Ar)) 4,6,8,9 is not common for noble-gas hydrides.…”
Section: Concluding Discussionmentioning
confidence: 86%
“…In addition, the calculations predict for HXeI stronger shifts between Xe and other matrices than for HXeCl, 12 in agreement with experiment. 4,9 For HXeH, the ⟨100⟩ (single substitution) site is lower in energy only in Kr and Xe matrices. In an Ar matrix, the ⟨110⟩ (double substitution) site is slightly more preferable.…”
Section: Concluding Discussionmentioning
confidence: 99%
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