High resolution analysis of C2D4 in the region of 600-1150 cm(-1)

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, Anna Leonidovna Fomchenko, Fangce Zhang, C. Sydow, C. Maul, S. Bauerecker

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the drms=2.1×10-4cm-1.

Original languageEnglish
Pages (from-to)55-70
Number of pages16
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume182
DOIs
Publication statusPublished - 1 Oct 2016

Fingerprint

Ground state
Infrared radiation
Hamiltonians
ground state
high resolution
Crystal symmetry
Electron transitions
vibrational states
Absorption spectra
Fourier transforms
infrared spectra
absorption spectra
Molecules
symmetry
molecules
energy

Keywords

  • C2D4 ethylene
  • Ground vibrational state
  • High-resolution spectra
  • Spectroscopic parameters

ASJC Scopus subject areas

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

Cite this

High resolution analysis of C2D4 in the region of 600-1150 cm(-1). / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Fomchenko, Anna Leonidovna; Zhang, Fangce; Sydow, C.; Maul, C.; Bauerecker, S.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 182, 01.10.2016, p. 55-70.

Research output: Contribution to journalArticle

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AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Fomchenko, Anna Leonidovna

AU - Zhang, Fangce

AU - Sydow, C.

AU - Maul, C.

AU - Bauerecker, S.

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N2 - High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the drms=2.1×10-4cm-1.

AB - High-accurate Fourier-transform infrared spectra of C2D4 were recorded and analyzed in the region of 600-1150 cm-1 where the bands ν7(B1u), ν10(B2u), ν12(B3u) are located as well as the ν4(Au) band which is forbidden by the symmetry of the molecule. The ground state rotational structure was re-analyzed by the use of ground state combination differences obtained on the basis of infrared transitions of the ν12 and ν7 absorption bands. This gave us the possibility to considerably improve the rotational and centrifugal parameters of the ground vibrational state. The analysis of the experimental data and the subsequent weighted-fit procedure of the Hamiltonian parameters allowed us to reproduce the initial 4405 "experimental" ro-vibrational energy values with the drms=2.1×10-4cm-1.

KW - C2D4 ethylene

KW - Ground vibrational state

KW - High-resolution spectra

KW - Spectroscopic parameters

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