Measurements and calculations of H2-broadening and shifting parameters of water vapour transitions in a wide spectral region T. M. Petrova, A. M. Solodov, A. A. Solodov [et al.]
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ArticleContent type: Текст Media type: электронный Subject(s): Фурье-спектроскопия | линейное расширение | коэффициенты сдвига | межмолекулярный потенциал | водородGenre/Form: статьи в журналах Online resources: Click here to access online
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Molecular physics Vol. 116, № 23-24. P. 3631-3641Abstract: The water vapour line broadening (γ) and shifting (δ) coefficients for 149 lines of 10 vibrational bands 2ν1, 2ν3, ν1 + ν3, 2ν2 + ν3, ν1 + 2ν2, ν2 + 2ν3, 2ν1 + ν2, 3ν2 + ν3, ν1 + 3ν2 and 6ν2 induced by hydrogen pressure were measured with a Bruker IFS 125 HR spectrometer. The measurements were performed at room temperature with a spectral resolution of 0.01 cm–1 and in a wide pressure range of H2. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method using an effective vibrationally dependent interaction potential. The optimal sets of potential parameters that give the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then combined experimental data of 16 vibrational bands of H2O perturbed by H2 were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers. The analytical expressions that reproduce the broadening coefficients γ for different vibrational bands are proposed.
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The water vapour line broadening (γ) and shifting (δ) coefficients for 149 lines of 10 vibrational bands 2ν1, 2ν3, ν1 + ν3, 2ν2 + ν3, ν1 + 2ν2, ν2 + 2ν3, 2ν1 + ν2, 3ν2 + ν3, ν1 + 3ν2 and 6ν2 induced by hydrogen pressure were measured with a Bruker IFS 125 HR spectrometer. The measurements were performed at room temperature with a spectral resolution of 0.01 cm–1 and in a wide pressure range of H2. The calculations of the broadening coefficients γ and δ were performed in the framework of the semi-classical method using an effective vibrationally dependent interaction potential. The optimal sets of potential parameters that give the best agreement with the measured broadening coefficients for each vibrational band separately were found. Then combined experimental data of 16 vibrational bands of H2O perturbed by H2 were used to determine the analytical dependence of some potential parameters on vibrational quantum numbers. The analytical expressions that reproduce the broadening coefficients γ for different vibrational bands are proposed.
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