Extended analysis of the high resolution FTIR spectrum of 32S16O2 in the region of the ν2 band: Line positions, strengths, and pressure broadening widths. (May 2018)

• Record Type: Journal Article
• Authors: Ulenikov, O.N.; Bekhtereva, E.S.; Gromova, O.V.; Quack, M.; Mellau, G.Ch.; Sydow, C.; Bauerecker, S.
• Is Part Of: Journal of quantitative spectroscopy & radiative transfer. Volume 210(2018)
• Page Start: 141
• Page End: 155
• Publication Date: 2018-05
• Subjects: S16O2 sulfur dioxide -- v2 band: line positions, strengths, half-widths -- Spectroscopic parameters; Spectrum analysis -- Periodicals; Radiation -- Periodicals; Analyse spectrale -- Périodiques; Rayonnement -- Périodiques; Radiation; Spectrum analysis; Periodicals; 543.0858
• DOI: 10.1016/j.jqsrt.2018.02.010
• Languages: English
• ISSNs: 0022-4073

Abstract

Highlights: High resolution analysis of S 16 O2 FTIR spectra. The v2 band: line positions, strengths, half-widths. Determination of spectroscopic parameters. Abstract: The high resolution infrared spectra of sulfur dioxide ( 32 S 16 O2 ) were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) in combination with a Ge:Cu detector and analyzed in the ν 2 fundamental band region (400–650 cm − 1, ν 0 ˜ = 517.8725691 ( 77 ) cm − 1 ). More than 4200 transitions were assigned in the experimental spectra to the ν 2 band (the maximum values of the quantum numbers are J m a x . = 96 and K a m a x . = 25 ). The subsequent weighted fit of experimentally assigned transitions was made with the Watson Hamiltonian. The 148 highly accurate MW transitions known from the literature have been also taken into account in the fit, resulting in a set of 33 parameters which reproduces the initial 1295 infrared ro–vibrational energy values from more than 4200 experimental line positions with a root mean square deviation d r m s = 1.5 × 10 − 4 cm − 1 . An analysis of 992 experimental ro–vibrational line intensities of the ν 2 band was made, and a set of four effective dipole moment parameters was obtained which reproduces the initial experimental line intensities with a relative d r m s = 5.7 % . The half-widths of 146 ro-vibrational lines ( J m a x . = 53 and K a m a x . = 20 ) were analyzed from the multi-spectrum fit, and self-pressure broadening coefficients were determined.