Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

T. M. Petrova, A. M. Solodov, A. A. Solodov, V. M. Deichuli, V. I. Starikov

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    Abstract

    The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm−1 and in a wide pressure range of H2. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented.

    Original languageEnglish
    Pages (from-to)1409-1420
    Number of pages12
    JournalMolecular Physics
    Volume116
    Issue number10
    DOIs
    Publication statusPublished - 19 May 2018

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    Keywords

    • Fourier transform spectroscopy
    • intermolecular potential
    • line broadening and shift coefficients
    • semi-classical method
    • water vapour

    ASJC Scopus subject areas

    • Biophysics
    • Molecular Biology
    • Condensed Matter Physics
    • Physical and Theoretical Chemistry

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