Study of the H2O dipole moment and polarisability vibrational dependence by the analysis of rovibrational line shifts

V I Starikov; T M Petrova; A M Solodov; A A Solodov; V M Deichuli

doi:10.1016/j.saa.2018.11.032

Study of the H₂O dipole moment and polarisability vibrational dependence by the analysis of rovibrational line shifts

Spectrochim Acta A Mol Biomol Spectrosc. 2019 Mar 5:210:275-280. doi: 10.1016/j.saa.2018.11.032. Epub 2018 Nov 14.

Authors

V I Starikov¹, T M Petrova², A M Solodov³, A A Solodov³, V M Deichuli⁴

Affiliations

¹ Department of Advanced Mathematics, Tomsk State University of Control System and Radio Electronics, Lenina Av. 40, 634050 Tomsk, Russia; Department of Informational Systems, National Research Tomsk Polytechnic University, Lenina Av. 30, 634050 Tomsk, Russia.
² Department of Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences, 1, Academician Zuev Square, 634021 Tomsk, Russia. Electronic address: tanja@iao.ru.
³ Department of Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences, 1, Academician Zuev Square, 634021 Tomsk, Russia.
⁴ Department of Spectroscopy, V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences, 1, Academician Zuev Square, 634021 Tomsk, Russia; Department of Photonics and Informatics, National Research Tomsk State University, Lenina Av. 36, 634050 Tomsk, Russia.

PMID: 30466033
DOI: 10.1016/j.saa.2018.11.032

Abstract

The study of the H₂O dipole moment μ and polarisability α vibrational dependence is based on the comparison of experimental and calculated line shifts induced by argon, nitrogen, and air pressure in different H₂O vibrational bands. Obtained dependence α on the stretching vibrations is in good agreement with the existing ab initio calculations in the literature, but the dependence α on the bending vibration is quite different. To clarify the dependence of μ and α on the bending vibration, the shifts of selected H₂O lines of the 4ν₂, 5ν₂, and 6ν₂ bands induced by argon, hydrogen and helium pressure are measured with the help of a Bruker IFS HR 125 spectrometer at room temperature with a spectral resolution of 0.01 cm^-1. The comparison of experimental and calculated results with different values of μ and α line shifts is given.

Keywords: Dipole moment and polarisability; Line shift; Water.