High resolution ro-vibrational analysis of interacting bands v(4), v(7), v(10), and v(12) of (C2H4)-C-13

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, C. Maul, S. Bauerecker, M. G. Gabona, T. L. Tan

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

High accurate, ~1×10-4cm-1, ro-vibrational spectra of the C213H4 molecule in the region of 600-1600cm-1 were recorded with Bruker IFS 120/125 HR Fourier transform interferometers and analyzed in the Hamiltonian model which takes into account Coriolis resonance interactions between all four bands. More than 660, 3870, 2420, and 2550 transitions belonging to the ν4, ν7, ν10, and ν12 bands were assigned in the experimental spectrum with the maximum values of quantum numbers Jmax./Kamax., equal to 38/10, 43/21, 33/16 and 52/18, respectively. To make the ro-vibrational analysis physically more suitable, the initial values of the rotational and centrifugal distortion parameters of the studied bands were theoretically estimated by the use of isotopic relations. On that basis, a set of 55 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 2934 initial "experimental" ro-vibrational energy levels obtained from nonsaturated unblended lines (more than 9500 assigned transitions of the ν4, ν7, ν10, and ν12 bands) with the rms error drms=0.00014cm-1. Ground state parameters of the C213H4 molecule were improved as well.

Original languageEnglish
Pages (from-to)224-238
Number of pages15
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume151
DOIs
Publication statusPublished - 1 Jan 2015

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Hamiltonians
Molecules
high resolution
Vibrational spectra
Interferometers
Electron energy levels
Ground state
Fourier transforms
vibrational spectra
quantum numbers
molecules
interferometers
energy levels
interactions
ground state

Keywords

  • Ethylene C213 H
  • High-resolution spectra
  • Resonance interactions
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

High resolution ro-vibrational analysis of interacting bands v(4), v(7), v(10), and v(12) of (C2H4)-C-13. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Maul, C.; Bauerecker, S.; Gabona, M. G.; Tan, T. L.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 151, 01.01.2015, p. 224-238.

Research output: Contribution to journalArticle

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AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Maul, C.

AU - Bauerecker, S.

AU - Gabona, M. G.

AU - Tan, T. L.

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N2 - High accurate, ~1×10-4cm-1, ro-vibrational spectra of the C213H4 molecule in the region of 600-1600cm-1 were recorded with Bruker IFS 120/125 HR Fourier transform interferometers and analyzed in the Hamiltonian model which takes into account Coriolis resonance interactions between all four bands. More than 660, 3870, 2420, and 2550 transitions belonging to the ν4, ν7, ν10, and ν12 bands were assigned in the experimental spectrum with the maximum values of quantum numbers Jmax./Kamax., equal to 38/10, 43/21, 33/16 and 52/18, respectively. To make the ro-vibrational analysis physically more suitable, the initial values of the rotational and centrifugal distortion parameters of the studied bands were theoretically estimated by the use of isotopic relations. On that basis, a set of 55 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 2934 initial "experimental" ro-vibrational energy levels obtained from nonsaturated unblended lines (more than 9500 assigned transitions of the ν4, ν7, ν10, and ν12 bands) with the rms error drms=0.00014cm-1. Ground state parameters of the C213H4 molecule were improved as well.

AB - High accurate, ~1×10-4cm-1, ro-vibrational spectra of the C213H4 molecule in the region of 600-1600cm-1 were recorded with Bruker IFS 120/125 HR Fourier transform interferometers and analyzed in the Hamiltonian model which takes into account Coriolis resonance interactions between all four bands. More than 660, 3870, 2420, and 2550 transitions belonging to the ν4, ν7, ν10, and ν12 bands were assigned in the experimental spectrum with the maximum values of quantum numbers Jmax./Kamax., equal to 38/10, 43/21, 33/16 and 52/18, respectively. To make the ro-vibrational analysis physically more suitable, the initial values of the rotational and centrifugal distortion parameters of the studied bands were theoretically estimated by the use of isotopic relations. On that basis, a set of 55 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 2934 initial "experimental" ro-vibrational energy levels obtained from nonsaturated unblended lines (more than 9500 assigned transitions of the ν4, ν7, ν10, and ν12 bands) with the rms error drms=0.00014cm-1. Ground state parameters of the C213H4 molecule were improved as well.

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