Abstract
The high resolution infrared spectra of sulfur dioxide (32S16O2) 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 ν2 fundamental band region (400–650 cm−1, ν0˜=517.8725691(77) cm−1). More than 4200 transitions were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax.=96 and Ka max.=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 drms=1.5×10−4 cm−1. An analysis of 992 experimental ro–vibrational line intensities of the ν2 band was made, and a set of four effective dipole moment parameters was obtained which reproduces the initial experimental line intensities with a relative drms=5.7%. The half-widths of 146 ro-vibrational lines (Jmax.=53 and Ka max.=20) were analyzed from the multi-spectrum fit, and self-pressure broadening coefficients were determined.
| Original language | English |
|---|---|
| Pages (from-to) | 141-155 |
| Number of pages | 15 |
| Journal | Journal of Quantitative Spectroscopy and Radiative Transfer |
| Volume | 210 |
| DOIs | |
| Publication status | Published - 1 May 2018 |
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Keywords
- SO sulfur dioxide
- Spectroscopic parameters
- v band: line positions, strengths, half-widths
ASJC Scopus subject areas
- Radiation
- Atomic and Molecular Physics, and Optics
- Spectroscopy
Cite this
Extended analysis of the high resolution FTIR spectrum of 32S16O2 in the region of the ν2 band : Line positions, strengths, and pressure broadening widths. / Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Quack, M.; Mellau, G. Ch; Sydow, C.; Bauerecker, S.
In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 210, 01.05.2018, p. 141-155.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Extended analysis of the high resolution FTIR spectrum of 32S16O2 in the region of the ν2 band
T2 - Line positions, strengths, and pressure broadening widths
AU - Ulenikov, O. N.
AU - Bekhtereva, E. S.
AU - Gromova, O. V.
AU - Quack, M.
AU - Mellau, G. Ch
AU - Sydow, C.
AU - Bauerecker, S.
PY - 2018/5/1
Y1 - 2018/5/1
N2 - The high resolution infrared spectra of sulfur dioxide (32S16O2) 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 ν2 fundamental band region (400–650 cm−1, ν0˜=517.8725691(77) cm−1). More than 4200 transitions were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax.=96 and Ka max.=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 drms=1.5×10−4 cm−1. An analysis of 992 experimental ro–vibrational line intensities of the ν2 band was made, and a set of four effective dipole moment parameters was obtained which reproduces the initial experimental line intensities with a relative drms=5.7%. The half-widths of 146 ro-vibrational lines (Jmax.=53 and Ka max.=20) were analyzed from the multi-spectrum fit, and self-pressure broadening coefficients were determined.
AB - The high resolution infrared spectra of sulfur dioxide (32S16O2) 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 ν2 fundamental band region (400–650 cm−1, ν0˜=517.8725691(77) cm−1). More than 4200 transitions were assigned in the experimental spectra to the ν2 band (the maximum values of the quantum numbers are Jmax.=96 and Ka max.=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 drms=1.5×10−4 cm−1. An analysis of 992 experimental ro–vibrational line intensities of the ν2 band was made, and a set of four effective dipole moment parameters was obtained which reproduces the initial experimental line intensities with a relative drms=5.7%. The half-widths of 146 ro-vibrational lines (Jmax.=53 and Ka max.=20) were analyzed from the multi-spectrum fit, and self-pressure broadening coefficients were determined.
KW - SO sulfur dioxide
KW - Spectroscopic parameters
KW - v band: line positions, strengths, half-widths
UR - http://www.scopus.com/inward/record.url?scp=85042293352&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85042293352&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2018.02.010
DO - 10.1016/j.jqsrt.2018.02.010
M3 - Article
VL - 210
SP - 141
EP - 155
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
SN - 0022-4073
ER -