First study of the ro-vibrational structure of the g-symmetry vibrational states of C2D4 from the analysis of hot bands: The ν710−ν10 and ν1012−ν10 bands

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, A. L. Fomchenko, C. Sydow, C. Maul, S. Bauerecker

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Abstract

The two strongest absorption “hot” bands of C2D4, ν710−ν10 and ν1012−ν10 were analyzed for the first time on the basis of high resolution infrared spectra recorded with a Bruker high resolution Fourier transform spectrometer. About 740 and 550 transitions (233 and 174 upper state ro-vibrational energy values) with Jmax.=25, Ka max=18 and Jmax.=20, Ka max.=10 for the bands ν710−ν10 and ν1012−ν10 were assigned. The obtained upper ro-vibrational energies were used then in the weighted fit of parameters of the effective Hamiltonian which takes into account resonance interactions between the vibrational states (v7=v10=1) and (v10=v12=1), on the one hand, and eight other closely located vibrational states, on the other hand. A set of 46 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 2.5×10−4cm−1 and which is close to experimental uncertainties.

Original languageEnglish
Pages (from-to)178-189
Number of pages12
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume187
DOIs
Publication statusPublished - 1 Jan 2017

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Hamiltonians
vibrational states
Spectrometers
Fourier transforms
Infrared radiation
symmetry
high resolution
infrared spectra
spectrometers
deviation
energy
Uncertainty
interactions

Keywords

  • C2D4
  • High-resolution spectra
  • Hot band
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

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title = "First study of the ro-vibrational structure of the g-symmetry vibrational states of C2D4 from the analysis of hot bands: The ν7+ν10−ν10 and ν10+ν12−ν10 bands",
abstract = "The two strongest absorption “hot” bands of C2D4, ν7+ν10−ν10 and ν10+ν12−ν10 were analyzed for the first time on the basis of high resolution infrared spectra recorded with a Bruker high resolution Fourier transform spectrometer. About 740 and 550 transitions (233 and 174 upper state ro-vibrational energy values) with Jmax.=25, Ka max=18 and Jmax.=20, Ka max.=10 for the bands ν7+ν10−ν10 and ν10+ν12−ν10 were assigned. The obtained upper ro-vibrational energies were used then in the weighted fit of parameters of the effective Hamiltonian which takes into account resonance interactions between the vibrational states (v7=v10=1) and (v10=v12=1), on the one hand, and eight other closely located vibrational states, on the other hand. A set of 46 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 2.5×10−4cm−1 and which is close to experimental uncertainties.",
keywords = "C2D4, High-resolution spectra, Hot band, Spectroscopic parameters",
author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Fomchenko, {A. L.} and C. Sydow and C. Maul and S. Bauerecker",
year = "2017",
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doi = "10.1016/j.jqsrt.2016.09.014",
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journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
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TY - JOUR

T1 - First study of the ro-vibrational structure of the g-symmetry vibrational states of C2D4 from the analysis of hot bands

T2 - The ν7+ν10−ν10 and ν10+ν12−ν10 bands

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Fomchenko, A. L.

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - The two strongest absorption “hot” bands of C2D4, ν7+ν10−ν10 and ν10+ν12−ν10 were analyzed for the first time on the basis of high resolution infrared spectra recorded with a Bruker high resolution Fourier transform spectrometer. About 740 and 550 transitions (233 and 174 upper state ro-vibrational energy values) with Jmax.=25, Ka max=18 and Jmax.=20, Ka max.=10 for the bands ν7+ν10−ν10 and ν10+ν12−ν10 were assigned. The obtained upper ro-vibrational energies were used then in the weighted fit of parameters of the effective Hamiltonian which takes into account resonance interactions between the vibrational states (v7=v10=1) and (v10=v12=1), on the one hand, and eight other closely located vibrational states, on the other hand. A set of 46 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 2.5×10−4cm−1 and which is close to experimental uncertainties.

AB - The two strongest absorption “hot” bands of C2D4, ν7+ν10−ν10 and ν10+ν12−ν10 were analyzed for the first time on the basis of high resolution infrared spectra recorded with a Bruker high resolution Fourier transform spectrometer. About 740 and 550 transitions (233 and 174 upper state ro-vibrational energy values) with Jmax.=25, Ka max=18 and Jmax.=20, Ka max.=10 for the bands ν7+ν10−ν10 and ν10+ν12−ν10 were assigned. The obtained upper ro-vibrational energies were used then in the weighted fit of parameters of the effective Hamiltonian which takes into account resonance interactions between the vibrational states (v7=v10=1) and (v10=v12=1), on the one hand, and eight other closely located vibrational states, on the other hand. A set of 46 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 2.5×10−4cm−1 and which is close to experimental uncertainties.

KW - C2D4

KW - High-resolution spectra

KW - Hot band

KW - Spectroscopic parameters

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