University of Oulu

O.N. Ulenikov, E.S. Bekhtereva, O.V. Gromova, P.A. Glushkov, A.P. Scherbakov, V.-M. Horneman, C. Sydow, C. Maul, S. Bauerecker, Extended analysis of the high resolution FTIR spectra of H2MS (M=32,33,34,36) in the region of the bending fundamental band: The ν2 and 2ν2−ν2 bands: Line positions, strengths, and pressure broadening widths, Journal of Quantitative Spectroscopy and Radiative Transfer, Volume 216, 2018, Pages 76-98, ISSN 0022-4073, https://doi.org/10.1016/j.jqsrt.2018.05.009

Extended analysis of the high resolution FTIR spectra of H₂MS (M = 32,33,34,36) in the region of the bending fundamental band : the ν₂ and 2ν₂ − ν₂ bands : line positions, strengths, and pressure broadening widths

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Author: Ulenikov, O.N.1; Bekhtereva, E.S.1; Gromova, O.V.1;
Organizations: 1National Research Tomsk Polytechnic University, Tomsk 634050, Russia
2Institute of Atmospheric Optics, Tomsk 634055, Russia
3Department of Physics, University of Oulu, FIN–90014, Oulu 3000, Finland
4Institut für Physikalische und Theoretische Chemie, Technische Universitäat Braunschweig, Braunschweig D - 38106, Germany
Format: article
Version: accepted version
Access: embargoed
Persistent link: http://urn.fi/urn:nbn:fi-fe2018102638887
Language: English
Published: Elsevier, 2018
Publish Date: 2020-05-15
Description:

Abstract

The high resolution infrared spectra of hydrogen sulfide, H₂MS (M = 32,33,34,36) in the natural abundance (95.041% of H₂³²S, 0.748% of H₂³³S, 4.196% of H₂³⁴S and 0.015% of H₂³⁶S), were recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer (Zürich prototype ZP2001) and analyzed in the ν₂ fundamental band region (700–1800 cm⁻¹). In the experimental spectra 1564, 1019, and 685 transitions were assigned to the ν₂ bands of H₂³²S, H₂³⁴S and H₂³³S (the maximum values of the quantum numbers are Jmax./Kamax. = 24/17, 20/14, 17/14). The subsequent weighted fits of experimentally assigned transitions were made with the Watson Hamiltonian and a set of parameters which reproduces the initial 333/249/216 infrared ro-vibrational energy values has been obtained from the assigned experimental line positions with the root mean square deviations of drms = 2.2 x 10⁻⁴ cm⁻¹, 1.7 x 10⁻⁴ cm⁻¹ and 1.5 x 10⁻⁴ cm⁻¹ for the H₂³²S, H₂³⁴S and H₂³³S isotopologues. Additionally, 703, 182 and 23 transitions with the values of quantum numbers Jmax./Kamax. = 18/14, 14/8 and 9/6 belonging to the 2v₂ − v₂ hot bands of H₂³²S, H₂³⁴S and H₂³³S (for the first time for the hot bands of the H₂³⁴S and H₂³³S species) were assigned in the experimental spectra. Rotational parameters of the ground vibrational state of H₂³⁶S were re-determined, and, for the first time, 103 transitions (Jmax. = 11, Kamax. = 8) of the ν₂ band of H₂³⁶S were assigned in the experimental spectra. An analysis of ro-vibrational line strengths of 61 experimental isolated unsaturated and not too weak lines of the ν₂ band of H₂³²S was made (Jmax. = 9, Kamax. = 8), and five effective dipole moment parameters were obtained from the fit which reproduce the initial experimental line intensities with the drms = 1.4%. An analogous analysis was performed for the H₂³⁴S and H₂³³S isotopologues. The half-widths analysis was made on the basis of the multi-spectrum fit with the Hartmann-Tran line profile, and self-pressure broadening coefficients were estimated for a few tens of lines for the three most abundant isotopologues.

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Series: Journal of quantitative spectroscopy & radiative transfer
ISSN: 0022-4073
ISSN-E: 1879-1352
ISSN-L: 0022-4073
Volume: 216
Pages: 76 - 98
DOI: 10.1016/j.jqsrt.2018.05.009
OADOI: https://oadoi.org/10.1016/j.jqsrt.2018.05.009
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
Subjects:
Funding: The research was funded from Tomsk Polytechnic University Competitiveness Enhancement Program grant, project 203/2018, by the Deutsche Forschungsgemeinschaft (grants BA 2176/4-1, BA 2176/4-2, and BA 2176/5-1), and by the Volkswagen Foundation, Germany (grant 90239).
Copyright information: © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
  https://creativecommons.org/licenses/by-nc-nd/4.0/