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

    Результат исследований: Материалы для журналаСтатья

    2 Цитирования (Scopus)

    Выдержка

    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.

    Язык оригиналаАнглийский
    Страницы (с-по)1409-1420
    Число страниц12
    ЖурналMolecular Physics
    Том116
    Номер выпуска10
    DOI
    СостояниеОпубликовано - 19 мая 2018

    Отпечаток

    Steam
    water vapor
    Pressure
    Spectral resolution
    shift
    Fourier Transform Infrared Spectroscopy
    coefficients
    Spectrometers
    Hydrogen
    Temperature
    spectral resolution
    spectrometers
    room temperature
    hydrogen
    interactions

    ASJC Scopus subject areas

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

    Цитировать

    Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band. / Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

    В: Molecular Physics, Том 116, № 10, 19.05.2018, стр. 1409-1420.

    Результат исследований: Материалы для журналаСтатья

    Petrova, T. M. ; Solodov, A. M. ; Solodov, A. A. ; Deichuli, V. M. ; Starikov, V. I. / Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band. В: Molecular Physics. 2018 ; Том 116, № 10. стр. 1409-1420.
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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.",
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    AU - Solodov, A. M.

    AU - Solodov, A. A.

    AU - Deichuli, V. M.

    AU - Starikov, V. I.

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    N2 - 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.

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