Measurements and calculations of Ar-broadening parameters of water vapour transitions in a wide spectral region

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

    Research output: Contribution to journalArticle

    7 Citations (Scopus)

    Abstract

    The water vapour line-broadening (γ) and shift (δ) coefficients for 310 lines of 10 vibrational bands ν1, ν3, 2ν2, ν1+ ν2, ν2+ ν3,23, 2ν1, ν1+ ν3, 2ν3 and ν1 +2ν2 induced by argon pressure were measured with a Bruker IFS HR 125 spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm 1 and over a wide pressure range of Ar. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method. The intermolecular potential was taken as the sum of the atom–atom potential and the vibrationally and rotationally dependent isotropic induction+dispersion potential. The measured γ and δ were combined with literature data for the ν2 and 3ν13, 2ν1+2ν23 vibrational bands, and the optimal sets of potential parameters that gave the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then, combined experimental data of 13 vibrational bands of H2O perturbed by Ar were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers.

    Original languageEnglish
    Pages (from-to)1-15
    Number of pages15
    JournalMolecular Physics
    DOIs
    Publication statusAccepted/In press - 1 Apr 2017

    Fingerprint

    Steam
    water vapor
    Pressure
    Argon
    Spectral resolution
    Spectrometers
    coefficients
    Temperature
    spectral resolution
    quantum numbers
    induction
    argon
    spectrometers
    shift
    room temperature

    Keywords

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

    ASJC Scopus subject areas

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

    Cite this

    Measurements and calculations of Ar-broadening parameters of water vapour transitions in a wide spectral region. / Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

    In: Molecular Physics, 01.04.2017, p. 1-15.

    Research output: Contribution to journalArticle

    Petrova, T. M. ; Solodov, A. M. ; Solodov, A. A. ; Deichuli, V. M. ; Starikov, V. I. / Measurements and calculations of Ar-broadening parameters of water vapour transitions in a wide spectral region. In: Molecular Physics. 2017 ; pp. 1-15.
    @article{7f8247d1da96419b8574564907fbba35,
    title = "Measurements and calculations of Ar-broadening parameters of water vapour transitions in a wide spectral region",
    abstract = "The water vapour line-broadening (γ) and shift (δ) coefficients for 310 lines of 10 vibrational bands ν1, ν3, 2ν2, ν1+ ν2, ν2+ ν3, 2ν2 +ν3, 2ν1, ν1+ ν3, 2ν3 and ν1 +2ν2 induced by argon pressure were measured with a Bruker IFS HR 125 spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm– 1 and over a wide pressure range of Ar. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method. The intermolecular potential was taken as the sum of the atom–atom potential and the vibrationally and rotationally dependent isotropic induction+dispersion potential. The measured γ and δ were combined with literature data for the ν2 and 3ν1+ν3, 2ν1+2ν2+ν3 vibrational bands, and the optimal sets of potential parameters that gave the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then, combined experimental data of 13 vibrational bands of H2O perturbed by Ar were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers.",
    keywords = "Fourier transform spectroscopy, intermolecular potential, line-broadening and shift coefficients, semi-classical method",
    author = "Petrova, {T. M.} and Solodov, {A. M.} and Solodov, {A. A.} and Deichuli, {V. M.} and Starikov, {V. I.}",
    year = "2017",
    month = "4",
    day = "1",
    doi = "10.1080/00268976.2017.1311422",
    language = "English",
    pages = "1--15",
    journal = "Molecular Physics",
    issn = "0026-8976",
    publisher = "Taylor and Francis Ltd.",

    }

    TY - JOUR

    T1 - Measurements and calculations of Ar-broadening parameters of water vapour transitions in a wide spectral region

    AU - Petrova, T. M.

    AU - Solodov, A. M.

    AU - Solodov, A. A.

    AU - Deichuli, V. M.

    AU - Starikov, V. I.

    PY - 2017/4/1

    Y1 - 2017/4/1

    N2 - The water vapour line-broadening (γ) and shift (δ) coefficients for 310 lines of 10 vibrational bands ν1, ν3, 2ν2, ν1+ ν2, ν2+ ν3, 2ν2 +ν3, 2ν1, ν1+ ν3, 2ν3 and ν1 +2ν2 induced by argon pressure were measured with a Bruker IFS HR 125 spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm– 1 and over a wide pressure range of Ar. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method. The intermolecular potential was taken as the sum of the atom–atom potential and the vibrationally and rotationally dependent isotropic induction+dispersion potential. The measured γ and δ were combined with literature data for the ν2 and 3ν1+ν3, 2ν1+2ν2+ν3 vibrational bands, and the optimal sets of potential parameters that gave the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then, combined experimental data of 13 vibrational bands of H2O perturbed by Ar were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers.

    AB - The water vapour line-broadening (γ) and shift (δ) coefficients for 310 lines of 10 vibrational bands ν1, ν3, 2ν2, ν1+ ν2, ν2+ ν3, 2ν2 +ν3, 2ν1, ν1+ ν3, 2ν3 and ν1 +2ν2 induced by argon pressure were measured with a Bruker IFS HR 125 spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm– 1 and over a wide pressure range of Ar. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method. The intermolecular potential was taken as the sum of the atom–atom potential and the vibrationally and rotationally dependent isotropic induction+dispersion potential. The measured γ and δ were combined with literature data for the ν2 and 3ν1+ν3, 2ν1+2ν2+ν3 vibrational bands, and the optimal sets of potential parameters that gave the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then, combined experimental data of 13 vibrational bands of H2O perturbed by Ar were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers.

    KW - Fourier transform spectroscopy

    KW - intermolecular potential

    KW - line-broadening and shift coefficients

    KW - semi-classical method

    UR - http://www.scopus.com/inward/record.url?scp=85017618210&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=85017618210&partnerID=8YFLogxK

    U2 - 10.1080/00268976.2017.1311422

    DO - 10.1080/00268976.2017.1311422

    M3 - Article

    AN - SCOPUS:85017618210

    SP - 1

    EP - 15

    JO - Molecular Physics

    JF - Molecular Physics

    SN - 0026-8976

    ER -