Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band. (19th May 2018)

• Record Type: Journal Article
• Authors: Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.
• Is Part Of: Molecular physics. Volume 116:Number 10(2018)
• Page Start: 1409
• Page End: 1420
• Publication Date: 2018-05-19
• Subjects: Fourier transform spectroscopy -- line broadening and shift coefficients -- semi-classical method -- intermolecular potential -- water vapour; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2018.1432905
• Languages: English
• ISSNs: 0026-8976

Abstract

ABSTRACT: The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 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 H2 . The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented. Abstract :