First high resolution analysis of the 2v(1), 2v(3), and v(1) + v(3) bands of (SO2)-O-18

O. N. Ulenikov, E. S. Bekhtereva, O. V. Gromova, V. A. Zamotaeva, E. A. Sklyarova, C. Sydow, C. Maul, S. Bauerecker

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

We report the results of a highly accurate, (1–3)×10−4 cm−1, ro-vibrational analysis of the S18O2 molecule in the spectral region of 2100–2700 cm−1. More than 2910, 2130, and 1390 transitions belonging to the 2ν1, ν13, and 2ν3 bands were assigned for the first time with the values of quantum numbers Jmax./Ka max. equal to 67/26, 81/25 and 53/16, respectively. The weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account Coriolis resonance interactions between the vibrational states (v1v2v3) and (v1∓1v2v3±1) and Fermi interactions between the states (v1v2v3) and (v1∓1v2±2v3). To make the ro-vibrational analysis physically more suitable, the initial values of main spectroscopic parameters have been estimated theoretically. Finally, the set of 43 spectroscopic parameters obtained from the fit reproduces values of 2384 initial “experimental” ro-vibrational energy levels (more than 6430 transitions assigned in the experimental spectra) with the rms=1.74×10−4cm−1.

Original languageEnglish
Pages (from-to)12-21
Number of pages10
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume185
DOIs
Publication statusPublished - 1 Dec 2016

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Hamiltonians
Electron transitions
Electron energy levels
Molecules
high resolution
vibrational states
quantum numbers
energy levels
interactions
molecules

Keywords

  • (SO2)-O-18 sulfur dioxide
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

First high resolution analysis of the 2v(1), 2v(3), and v(1) + v(3) bands of (SO2)-O-18. / Ulenikov, O. N.; Bekhtereva, E. S.; Gromova, O. V.; Zamotaeva, V. A.; Sklyarova, E. A.; Sydow, C.; Maul, C.; Bauerecker, S.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 185, 01.12.2016, p. 12-21.

Research output: Contribution to journalArticle

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AU - Ulenikov, O. N.

AU - Bekhtereva, E. S.

AU - Gromova, O. V.

AU - Zamotaeva, V. A.

AU - Sklyarova, E. A.

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2016/12/1

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N2 - We report the results of a highly accurate, (1–3)×10−4 cm−1, ro-vibrational analysis of the S18O2 molecule in the spectral region of 2100–2700 cm−1. More than 2910, 2130, and 1390 transitions belonging to the 2ν1, ν1+ν3, and 2ν3 bands were assigned for the first time with the values of quantum numbers Jmax./Ka max. equal to 67/26, 81/25 and 53/16, respectively. The weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account Coriolis resonance interactions between the vibrational states (v1v2v3) and (v1∓1v2v3±1) and Fermi interactions between the states (v1v2v3) and (v1∓1v2±2v3). To make the ro-vibrational analysis physically more suitable, the initial values of main spectroscopic parameters have been estimated theoretically. Finally, the set of 43 spectroscopic parameters obtained from the fit reproduces values of 2384 initial “experimental” ro-vibrational energy levels (more than 6430 transitions assigned in the experimental spectra) with the rms=1.74×10−4cm−1.

AB - We report the results of a highly accurate, (1–3)×10−4 cm−1, ro-vibrational analysis of the S18O2 molecule in the spectral region of 2100–2700 cm−1. More than 2910, 2130, and 1390 transitions belonging to the 2ν1, ν1+ν3, and 2ν3 bands were assigned for the first time with the values of quantum numbers Jmax./Ka max. equal to 67/26, 81/25 and 53/16, respectively. The weighted fit of experimentally assigned transitions was made with the Hamiltonian model which takes into account Coriolis resonance interactions between the vibrational states (v1v2v3) and (v1∓1v2v3±1) and Fermi interactions between the states (v1v2v3) and (v1∓1v2±2v3). To make the ro-vibrational analysis physically more suitable, the initial values of main spectroscopic parameters have been estimated theoretically. Finally, the set of 43 spectroscopic parameters obtained from the fit reproduces values of 2384 initial “experimental” ro-vibrational energy levels (more than 6430 transitions assigned in the experimental spectra) with the rms=1.74×10−4cm−1.

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