Line positions and intensities in the ν2 fundamental band of sulfuryl fluoride using the C2v top data system. (April 2019)

• Record Type: Journal Article
• Authors: Hmida, F.; Grouiez, B.; Cours, T.; Rotger, M.; Manceron, L.; Boudon, V.; Aroui, H.
• Is Part Of: Journal of quantitative spectroscopy & radiative transfer. Volume 227(2019)
• Page Start: 63
• Page End: 71
• Publication Date: 2019-04
• Subjects: Quasi-spherical top molecules -- Tensorial formalism -- Molecular spectroscopy -- Line intensities -- Sulfuryl fluoride; Spectrum analysis -- Periodicals; Radiation -- Periodicals; Analyse spectrale -- Périodiques; Rayonnement -- Périodiques; Radiation; Spectrum analysis; Periodicals; 543.0858
• DOI: 10.1016/j.jqsrt.2019.01.026
• Languages: English
• ISSNs: 0022-4073

Abstract

Highlights: New high-resolution infrared spectra of v 2 band have been recorded at the SOLEIL Synchrotron. 2407 IR data of the v 2 band and 1070 MW data of the GS were assigned. 71 lines intensities were assigned with a RMS of about 10%. Abstract: New experimental high-resolution Fourier-Tansform infrared spectra of the infrared active fundamental ν 2 band of sulfuryl fluoride SO2 F2, have been recorded at a temperature of 193 K and at resolution of 0.00102 cm − 1 at the AILES (Advanced Infrared Line Exploited for Spectroscopy) beamline of the SOLEIL (Source Optimisée de Lumière d'Energie intermédiaire du LURE) Synchrotron facility. A detailed analysis has been performed both in line positions and intensities with the C 2 v TDS (Top Data System) program suite, based on the tensorial formalism developed in Dijon for quasi-spherical top molecules. The effective Hamiltonian was developed up to fourth order. The parameter of the effective dipole moment operator has been determined using the wavefunctions of the effective Hamiltonian operator. 2407 line positions have been measured with global root mean square deviation of about 0.19 × 10 − 3 cm − 1 . Using 71 lines intensities, we estimate the uncertainty on calculated line intensities to 10%. To the extent of our knowledge, this is the first time that an absolute intensity analysis has been carried out for sulfuryl fluoride.