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- W1973706303 abstract "HXeCCH molecule is prepared in Ar and Kr matrices and characterized by IR absorption spectroscopy. The experiments show that HXeCCH can be made in another host than the polarizable Xe environment. The H–Xe stretching absorption of HXeCCH in Ar and Kr is blueshifted from the value measured in solid Xe. The maximum blueshifts are +44.9 and +32.3cm−1 in Ar and Kr, respectively, indicating stabilization of the H–Xe bond. HXeCCH has a doublet H–Xe stretching absorption measured in Xe, Kr, and Ar matrices with a splitting of 5.7, 13, and 14cm−1, respectively. Ab initio calculations for the 1:1 HXeCCH⋯Ng complexes (Ng=Ar, Kr, or Xe) are used to analyze the interaction of the hosts with the embedded molecule. These calculations support the matrix-site model where the band splitting observed experimentally is caused by specific interactions of the HXeCCH molecule with noble-gas atoms in certain local morphologies. However, the 1:1 complexation is unable to explain the observed blueshifts of the H–Xe stretching band in Ar and Kr matrices compared to a Xe matrix. More sophisticated computational approach is needed to account in detail the effects of solid environment." @default.
- W1973706303 created "2016-06-24" @default.
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- W1973706303 date "2006-08-15" @default.
- W1973706303 modified "2023-09-27" @default.
- W1973706303 title "HXeCCH in Ar and Kr matrices" @default.
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- W1973706303 doi "https://doi.org/10.1063/1.2221308" @default.
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