Vibrational dependence of an intermolecular potential for H2O-He system

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

    Research output: Contribution to journalArticle

    24 Citations (Scopus)

    Abstract

    The intermolecular interaction potential, taken as the sum of pair potentials which, in turn, were modeled by the Lennard-Jones potential has been determined by means of nonlinear least squares fitting its parameters to the experimental data on the lines broadening (γ) and shift (δ) coefficients. The data on γ and δ for nine vibration bands ν1, ν3, 2ν2, ν12, ν23, 2ν1, ν13, 2ν23 and ν123 have been obtained from the analysis of the H2O-He absorption spectra, recorded from 3000 to 9000cm-1 with help of IFS 125HR Fourier spectrometer at room temperature, spectral resolution of 0.01cm-1 and in wide pressure range of He. Additionally we use literature data for rotational band (~180GHz) and ν2 band (1850-2140cm-1). The vibrational and rotational dependence of the potential parameters as well as the temperature dependence of the calculated lines broadening coefficients have been demonstrated.

    Original languageEnglish
    Pages (from-to)241-253
    Number of pages13
    JournalJournal of Quantitative Spectroscopy and Radiative Transfer
    Volume129
    DOIs
    Publication statusPublished - Nov 2013

    Fingerprint

    Lennard-Jones potential
    Spectral resolution
    Spectrometers
    Absorption spectra
    coefficients
    spectral resolution
    Temperature
    spectrometers
    absorption spectra
    vibration
    temperature dependence
    shift
    room temperature
    interactions

    Keywords

    • Intermolecular potential
    • Line broadening and shift coefficients
    • Semi-classical method

    ASJC Scopus subject areas

    • Spectroscopy
    • Atomic and Molecular Physics, and Optics
    • Radiation

    Cite this

    Vibrational dependence of an intermolecular potential for H2O-He system. / Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Starikov, V. I.

    In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 129, 11.2013, p. 241-253.

    Research output: Contribution to journalArticle

    Petrova, T. M. ; Solodov, A. M. ; Solodov, A. A. ; Starikov, V. I. / Vibrational dependence of an intermolecular potential for H2O-He system. In: Journal of Quantitative Spectroscopy and Radiative Transfer. 2013 ; Vol. 129. pp. 241-253.
    @article{6100fa2b3757427bb6968d4919c4e27b,
    title = "Vibrational dependence of an intermolecular potential for H2O-He system",
    abstract = "The intermolecular interaction potential, taken as the sum of pair potentials which, in turn, were modeled by the Lennard-Jones potential has been determined by means of nonlinear least squares fitting its parameters to the experimental data on the lines broadening (γ) and shift (δ) coefficients. The data on γ and δ for nine vibration bands ν1, ν3, 2ν2, ν1+ν2, ν2+ν3, 2ν1, ν1+ν3, 2ν2+ν3 and ν1+ν2+ν3 have been obtained from the analysis of the H2O-He absorption spectra, recorded from 3000 to 9000cm-1 with help of IFS 125HR Fourier spectrometer at room temperature, spectral resolution of 0.01cm-1 and in wide pressure range of He. Additionally we use literature data for rotational band (~180GHz) and ν2 band (1850-2140cm-1). The vibrational and rotational dependence of the potential parameters as well as the temperature dependence of the calculated lines broadening coefficients have been demonstrated.",
    keywords = "Intermolecular potential, Line broadening and shift coefficients, Semi-classical method",
    author = "Petrova, {T. M.} and Solodov, {A. M.} and Solodov, {A. A.} and Starikov, {V. I.}",
    year = "2013",
    month = "11",
    doi = "10.1016/j.jqsrt.2013.06.021",
    language = "English",
    volume = "129",
    pages = "241--253",
    journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
    issn = "0022-4073",
    publisher = "Elsevier Limited",

    }

    TY - JOUR

    T1 - Vibrational dependence of an intermolecular potential for H2O-He system

    AU - Petrova, T. M.

    AU - Solodov, A. M.

    AU - Solodov, A. A.

    AU - Starikov, V. I.

    PY - 2013/11

    Y1 - 2013/11

    N2 - The intermolecular interaction potential, taken as the sum of pair potentials which, in turn, were modeled by the Lennard-Jones potential has been determined by means of nonlinear least squares fitting its parameters to the experimental data on the lines broadening (γ) and shift (δ) coefficients. The data on γ and δ for nine vibration bands ν1, ν3, 2ν2, ν1+ν2, ν2+ν3, 2ν1, ν1+ν3, 2ν2+ν3 and ν1+ν2+ν3 have been obtained from the analysis of the H2O-He absorption spectra, recorded from 3000 to 9000cm-1 with help of IFS 125HR Fourier spectrometer at room temperature, spectral resolution of 0.01cm-1 and in wide pressure range of He. Additionally we use literature data for rotational band (~180GHz) and ν2 band (1850-2140cm-1). The vibrational and rotational dependence of the potential parameters as well as the temperature dependence of the calculated lines broadening coefficients have been demonstrated.

    AB - The intermolecular interaction potential, taken as the sum of pair potentials which, in turn, were modeled by the Lennard-Jones potential has been determined by means of nonlinear least squares fitting its parameters to the experimental data on the lines broadening (γ) and shift (δ) coefficients. The data on γ and δ for nine vibration bands ν1, ν3, 2ν2, ν1+ν2, ν2+ν3, 2ν1, ν1+ν3, 2ν2+ν3 and ν1+ν2+ν3 have been obtained from the analysis of the H2O-He absorption spectra, recorded from 3000 to 9000cm-1 with help of IFS 125HR Fourier spectrometer at room temperature, spectral resolution of 0.01cm-1 and in wide pressure range of He. Additionally we use literature data for rotational band (~180GHz) and ν2 band (1850-2140cm-1). The vibrational and rotational dependence of the potential parameters as well as the temperature dependence of the calculated lines broadening coefficients have been demonstrated.

    KW - Intermolecular potential

    KW - Line broadening and shift coefficients

    KW - Semi-classical method

    UR - http://www.scopus.com/inward/record.url?scp=84884281947&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=84884281947&partnerID=8YFLogxK

    U2 - 10.1016/j.jqsrt.2013.06.021

    DO - 10.1016/j.jqsrt.2013.06.021

    M3 - Article

    VL - 129

    SP - 241

    EP - 253

    JO - Journal of Quantitative Spectroscopy and Radiative Transfer

    JF - Journal of Quantitative Spectroscopy and Radiative Transfer

    SN - 0022-4073

    ER -