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.
| Original language | English |
|---|---|
| Pages (from-to) | 241-253 |
| Number of pages | 13 |
| Journal | Journal of Quantitative Spectroscopy and Radiative Transfer |
| Volume | 129 |
| DOIs | |
| Publication status | Published - Nov 2013 |
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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 journal › Article
}
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
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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 -