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 ν 1 , ν 3 , 2 ν 2 , ν 1 + ν 2 , ν 2 + ν 3 , 2 ν 1 , ν 1 + ν 3 , 2 ν 2 + ν 3 and ν 1 + ν 2 + ν 3 have been obtained from the analysis of the H 2 O–He absorption spectra, recorded from 3000 to 9000 cm −1 with help of IFS 125HR Fourier spectrometer at room temperature, spectral resolution of 0.01 cm −1 and in wide pressure range of He. Additionally we use literature data for rotational band (∼180 GHz) and ν 2 band (1850–2140 cm −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.

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