The fundamental vibrational shift of HCl diluted in dense Ar and Kr

The fundamental infrared band vibrational shifts of HCl diluted in dense Ar and Kr have been calculated by means of molecular dynamics simulation techniques and compared with the experimental data reported by Pérez et al. (J. Chem. Phys. 122, 194507 (2005)). The results have been analysed along the...

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Bibliographic Details
Published in:Molecular physics 2008-03, Vol.106 (5), p.687-691
Main Authors: Padilla, Antonio, Pérez, Justo
Format: Article
Language:English
Subjects:
HCl
infrared spectra
liquified rare gases
solutions
vibrational shift
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Summary:The fundamental infrared band vibrational shifts of HCl diluted in dense Ar and Kr have been calculated by means of molecular dynamics simulation techniques and compared with the experimental data reported by Pérez et al. (J. Chem. Phys. 122, 194507 (2005)). The results have been analysed along the liquid-vapour coexistence line as in several supercritical states, with good agreement between the theoretical and experimental values.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268970801932048