High resolution FTIR spectroscopy of sulfur dioxide in the 1550-1950cm-1 region

First analysis of the ν1+ν2/ν2+ν3 bands of 32S16O18O and experimental line intensities of ro-vibrational transitions in the ν1+thomampe

O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, V. M. Horneman, C. Sydow, S. Bauerecker

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Abstract

The high resolution infrared spectra of the 32S16O18O molecule were recorded for the first time with a Bruker IFS 120 HR Fourier transform interferometer and analysed in the region of 1550-1950cm-1 where the bands ν1+ν2 and ν2+ν3 are located. About 1050 and 1570 transitions were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 64/16 and 58/19 to the bands ν1+ν2 and ν2+ν3, respectively. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account the resonance interactions between the studied vibrational states. As the result, a set of 16 fitted parameters was obtained which reproduces the initial 1442 ro-vibrational energy values obtained from the assigned transitions with the drms=3.7×10-4cm-1. An analysis of more than 4050 experimental ro-vibrational line intensities of the ν1+ν2 and ν2+ν3 bands of 32S16O2 was made, and a set of 7 effective dipole moment parameters was obtained which reproduce the initial experimental line intensities with the drms=6.9%. Values of these parameters, being re-calculated to the values of corresponding parameters of the 34S16O2, 32S18O2 and 32S16O18O species were used for calculation of line intensities in the ν1+ν2 and ν2+ν3 bands of these three isotopologues. A list of transitions with their line intensities in the region of 1550-1950cm-1 for the four mentioned species is generated.

Original languageEnglish
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
DOIs
Publication statusAccepted/In press - 12 Jan 2017

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Hamiltonians
Sulfur Dioxide
sulfur dioxides
Dipole moment
Interferometers
Fourier transforms
Spectroscopy
Infrared radiation
Molecules
high resolution
spectroscopy
vibrational states
lists
quantum numbers
dipole moments
infrared spectra
interferometers
molecules
interactions
energy

Keywords

  • High resolution spectrum of sulfur dioxide species
  • Intensities
  • Line positions
  • The ν1+ν2/ν2+ν3 interacting states of sulfur dioxide

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

Cite this

@article{110524c32db44c6cbb26b80b3f142eca,
title = "High resolution FTIR spectroscopy of sulfur dioxide in the 1550-1950cm-1 region: First analysis of the ν1+ν2/ν2+ν3 bands of 32S16O18O and experimental line intensities of ro-vibrational transitions in the ν1+thomampe",
abstract = "The high resolution infrared spectra of the 32S16O18O molecule were recorded for the first time with a Bruker IFS 120 HR Fourier transform interferometer and analysed in the region of 1550-1950cm-1 where the bands ν1+ν2 and ν2+ν3 are located. About 1050 and 1570 transitions were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 64/16 and 58/19 to the bands ν1+ν2 and ν2+ν3, respectively. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account the resonance interactions between the studied vibrational states. As the result, a set of 16 fitted parameters was obtained which reproduces the initial 1442 ro-vibrational energy values obtained from the assigned transitions with the drms=3.7×10-4cm-1. An analysis of more than 4050 experimental ro-vibrational line intensities of the ν1+ν2 and ν2+ν3 bands of 32S16O2 was made, and a set of 7 effective dipole moment parameters was obtained which reproduce the initial experimental line intensities with the drms=6.9{\%}. Values of these parameters, being re-calculated to the values of corresponding parameters of the 34S16O2, 32S18O2 and 32S16O18O species were used for calculation of line intensities in the ν1+ν2 and ν2+ν3 bands of these three isotopologues. A list of transitions with their line intensities in the region of 1550-1950cm-1 for the four mentioned species is generated.",
keywords = "High resolution spectrum of sulfur dioxide species, Intensities, Line positions, The ν1+ν2/ν2+ν3 interacting states of sulfur dioxide",
author = "Ulenikov, {O. N.} and Bekhtereva, {E. S.} and Gromova, {O. V.} and Horneman, {V. M.} and C. Sydow and S. Bauerecker",
year = "2017",
month = "1",
day = "12",
doi = "10.1016/j.jqsrt.2017.02.005",
language = "English",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - High resolution FTIR spectroscopy of sulfur dioxide in the 1550-1950cm-1 region

T2 - First analysis of the ν1+ν2/ν2+ν3 bands of 32S16O18O and experimental line intensities of ro-vibrational transitions in the ν1+thomampe

AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Horneman, V. M.

AU - Sydow, C.

AU - Bauerecker, S.

PY - 2017/1/12

Y1 - 2017/1/12

N2 - The high resolution infrared spectra of the 32S16O18O molecule were recorded for the first time with a Bruker IFS 120 HR Fourier transform interferometer and analysed in the region of 1550-1950cm-1 where the bands ν1+ν2 and ν2+ν3 are located. About 1050 and 1570 transitions were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 64/16 and 58/19 to the bands ν1+ν2 and ν2+ν3, respectively. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account the resonance interactions between the studied vibrational states. As the result, a set of 16 fitted parameters was obtained which reproduces the initial 1442 ro-vibrational energy values obtained from the assigned transitions with the drms=3.7×10-4cm-1. An analysis of more than 4050 experimental ro-vibrational line intensities of the ν1+ν2 and ν2+ν3 bands of 32S16O2 was made, and a set of 7 effective dipole moment parameters was obtained which reproduce the initial experimental line intensities with the drms=6.9%. Values of these parameters, being re-calculated to the values of corresponding parameters of the 34S16O2, 32S18O2 and 32S16O18O species were used for calculation of line intensities in the ν1+ν2 and ν2+ν3 bands of these three isotopologues. A list of transitions with their line intensities in the region of 1550-1950cm-1 for the four mentioned species is generated.

AB - The high resolution infrared spectra of the 32S16O18O molecule were recorded for the first time with a Bruker IFS 120 HR Fourier transform interferometer and analysed in the region of 1550-1950cm-1 where the bands ν1+ν2 and ν2+ν3 are located. About 1050 and 1570 transitions were assigned in the experimental spectra with the maximum values of quantum numbers Jmax./Kamax. equal to 64/16 and 58/19 to the bands ν1+ν2 and ν2+ν3, respectively. The subsequent weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account the resonance interactions between the studied vibrational states. As the result, a set of 16 fitted parameters was obtained which reproduces the initial 1442 ro-vibrational energy values obtained from the assigned transitions with the drms=3.7×10-4cm-1. An analysis of more than 4050 experimental ro-vibrational line intensities of the ν1+ν2 and ν2+ν3 bands of 32S16O2 was made, and a set of 7 effective dipole moment parameters was obtained which reproduce the initial experimental line intensities with the drms=6.9%. Values of these parameters, being re-calculated to the values of corresponding parameters of the 34S16O2, 32S18O2 and 32S16O18O species were used for calculation of line intensities in the ν1+ν2 and ν2+ν3 bands of these three isotopologues. A list of transitions with their line intensities in the region of 1550-1950cm-1 for the four mentioned species is generated.

KW - High resolution spectrum of sulfur dioxide species

KW - Intensities

KW - Line positions

KW - The ν1+ν2/ν2+ν3 interacting states of sulfur dioxide

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U2 - 10.1016/j.jqsrt.2017.02.005

DO - 10.1016/j.jqsrt.2017.02.005

M3 - Article

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

ER -