Abstract
IR spectra of 24 structural isomers of (HF) n (n=4–8) clusters were calculated in the framework of semiempirical theory of polyatomic molecule vibrations. Based on the results obtained and available experimental data it is proposed that (HF) n associates comprising 3–5-membered cycles with attached monomeric HF units are present in molecular beams and gas phase.Ab initio calculations performed by the SCF method show the existence of local minima corresponding to such structures on the potential energy surface of (HF) n clusters (n=4–6).
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 435–443, March, 1997.
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Yukhnevich, G.V., Tarakanova, E.G. & Nemukhin, A.V. Stretching vibrations and structure of (HF) n (n=4–8) clusters. Russ Chem Bull 46, 414–422 (1997). https://doi.org/10.1007/BF02495388
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DOI: https://doi.org/10.1007/BF02495388