Modelling vibrational-rotational interactions in intensities of ν_2 band of H_2O by Pade approximants

摘要

A semiempirical model in the form of Pade approximants, describing vibrational-rotational (VR) interactions in intensities of VR-lines of ν_2 water vapor (H_2O) band, was developed. The corresponding to the C_(2ν) molecular symmetry group matrix elements, involved in the expansion of the transformed dipole moment, was applied to the derivation. The treatment of experimental intensities of ν_2 H_2O band for transitions with △K = ±1 and △K = ±3 by means of obtained model results in decreasing the root mean square deviation (RMS) about two times (2.82 % instead of 6.20 %) in comparison to the traditional scheme.