Extended analysis of the high resolution FTIR spectra of H₂<sup><em>M</em></sup>S (<em>M</em> = 32,33,34,36) in the region of the bending fundamental band : the <em>ν</em>₂ and 2<em>ν</em>₂ − <em>ν</em>₂ bands : line positions, strengths, and pressure broadening widths
Ulenikov, O.N.; Bekhtereva, E.S.; Gromova, O.V.; Glushkov, P.A.; Scherbakov, A.P.; Horneman, V.-M.; Sydow, C.; Maul, C.; Bauerecker, S. (2018-05-15)
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
© 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/
https://urn.fi/URN:NBN:fi-fe2018102638887
Tiivistelmä
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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