Measurements and calculations of krypton broadening and shifting parameters of the ν1 + ν2 + ν3 band of H2O

Abstract

The water vapor line broadening and shifting for 96 lines in the ν1 + ν2 + ν3 vibrational band (8600–9070 cm−1 spectral range) induced by krypton pressure were measured with Bruker IFS HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm−1 and in a wide pressure range of Kr. 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 anisotropic atom-atom potential and vibrationally and rotationally dependent isotropic Lennard-Jones potential. The measured line-width coefficients γ were fitted to the empirical functions. The coefficients γ and δ calculated in the semi-classical method and using the empirical functions were compared statistically to measurements.