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Precise ro-vibrational analysis of molecular bands forbidden in absorption: the ν8+ν10 band of the 12C2H4 molecule O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva [et.al.]

Contributor(s): Ulenikov, O. N | Bekhtereva, E. S | Kashirina, Nadezhda V | Bauerecker, S | Horneman, V.-M | Gromova, O. VMaterial type: ArticleArticleSubject(s): этилен | спектроскопия | адсорбцияGenre/Form: статьи в журналах Online resources: Click here to access online In: Journal of molecular spectroscopy Vol. 313. P. 4-13Abstract: The highly accurate (experimental accuracy in line positions ∼(1-2)×10-4∼(1-2)×10-4 cm−1) ro-vibrational spectrum of the ν8+ν10ν8+ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650–1950 cm−1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8+ν10ν8+ν10 band, which is forbidden in absorption, and the bands ν4+ν8ν4+ν8 and ν7+ν8ν7+ν8. About 1570 transitions belonging to the ν8+ν10ν8+ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax.=35Jmax.=35 and View the MathML sourceKamax.=18. On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial “experimental” ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rmsrms error drms=0.00045drms=0.00045 cm−1 (drms=0.00028drms=0.00028 cm−1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).
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В статье указано Kashirina, Nadezhda N.

Библиогр.: 58 назв.

The highly accurate (experimental accuracy in line positions ∼(1-2)×10-4∼(1-2)×10-4 cm−1) ro-vibrational spectrum of the ν8+ν10ν8+ν10 band of the 12C2H4 molecule was recorded for the first time with high resolution Fourier transform spectrometry and analyzed in the region of 1650–1950 cm−1 using the Hamiltonian model which takes into account Coriolis resonance interactions between the studied ν8+ν10ν8+ν10 band, which is forbidden in absorption, and the bands ν4+ν8ν4+ν8 and ν7+ν8ν7+ν8. About 1570 transitions belonging to the ν8+ν10ν8+ν10 band were assigned in the experimental spectra with the maximum values of quantum numbers Jmax.=35Jmax.=35 and View the MathML sourceKamax.=18. On that basis, a set of 38 vibrational, rotational, centrifugal distortion, and resonance interaction parameters was obtained from the fit. They reproduce values of 598 initial “experimental” ro-vibrational energy levels (positions of about 1570 experimentally recorded and assigned transitions) with the rmsrms error drms=0.00045drms=0.00045 cm−1 (drms=0.00028drms=0.00028 cm−1 when upper ro-vibrational energies obtained from blended and very weak transitions were deleted from the fit).

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