First high resolution ro–vibrational analysis of C2HD3 in the region of the ν12 band

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, N. V. Kashirina, C. Sydow, M. Schiller, T. Blinzer, S. Bauerecker

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The high-resolution infrared spectra of C2HD3 ethylene was analyzed for the first time in the region of 1230–1340 cm−1, where the strong ν12 band is located. The 1748 transitions with the maximum values of the upper quantum numbers Jmax.=43 and Ka max.=14 were assigned to the ν12 band. The 14 transitions have been assigned to the 2ν10 band whose appearance is caused by the strong resonance interaction with the ν12 one. For description of the assigned transitions (upper ro-vibrational energy levels), the effective Hamiltonian was used which takes resonance interactions between the vibrational state (v12=1) and three other closely located states, (v10=2), (v7=v10=1) and (v4=v10=1) into account. A set of 70 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (593 upper energy values, 1762 transitions) with the drms= 1.3 ×10−3 cm−1. Finally, the strengths of 106 ro–vibrational lines of the ν12 band were roughly estimated.

Original languageEnglish
Pages (from-to)86-99
Number of pages14
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume218
DOIs
Publication statusPublished - 1 Oct 2018

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Hamiltonians
high resolution
Electron transitions
Electron energy levels
Infrared radiation
vibrational states
quantum numbers
ethylene
infrared spectra
energy levels
interactions
energy

Keywords

  • CHD ethylene
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

First high resolution ro–vibrational analysis of C2HD3 in the region of the ν12 band. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Sydow, C.; Schiller, M.; Blinzer, T.; Bauerecker, S.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 218, 01.10.2018, p. 86-99.

Research output: Contribution to journalArticle

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T1 - First high resolution ro–vibrational analysis of C2HD3 in the region of the ν12 band

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Kashirina, N. V.

AU - Sydow, C.

AU - Schiller, M.

AU - Blinzer, T.

AU - Bauerecker, S.

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AB - The high-resolution infrared spectra of C2HD3 ethylene was analyzed for the first time in the region of 1230–1340 cm−1, where the strong ν12 band is located. The 1748 transitions with the maximum values of the upper quantum numbers Jmax.=43 and Ka max.=14 were assigned to the ν12 band. The 14 transitions have been assigned to the 2ν10 band whose appearance is caused by the strong resonance interaction with the ν12 one. For description of the assigned transitions (upper ro-vibrational energy levels), the effective Hamiltonian was used which takes resonance interactions between the vibrational state (v12=1) and three other closely located states, (v10=2), (v7=v10=1) and (v4=v10=1) into account. A set of 70 spectroscopic parameters obtained from a weighted least square fit reproduces the initial experimental data (593 upper energy values, 1762 transitions) with the drms= 1.3 ×10−3 cm−1. Finally, the strengths of 106 ro–vibrational lines of the ν12 band were roughly estimated.

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