Ro-vibrational analysis of the hot bands of (C2H4)-C-13: v(7) + v(10) - v(10) and v(10) + v(12) - v(10): ν 7 + ν 10 - ν10and ν10+ ν12- 1ν0 — National Research Tomsk Polytechnic University

Abstract

Two "hot" absorption bands, ^ν7+^ν10-^ν10 and ^ν10+^ν12-^ν10, of ¹³C₂H₄ were recorded for the first time with a Bruker high resolution Fourier transform spectrometer and theoretically analyzed. About 640 and 270 transitions (168 and 136 upper state ro-vibrational energy values) with ^Jmax.=20,Kamax.=10 and ^Jmax.=23,Kamax.=9 for the bands ^ν7+^ν10-^ν10 and ^ν10+^ν12-^ν10, respectively, were assigned. For that purpose strong local resonance interactions with ten other closely located vibrational states were taken into account. A set of 36 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 6.7×10^-4 cm and which is close to experimental uncertainties.

Original language	English
Pages (from-to)	32-40
Number of pages	9
Journal	Journal of Molecular Spectroscopy
Volume	317
DOIs	https://doi.org/10.1016/j.jms.2015.08.010
Publication status	Published - 1 Nov 2015

Keywords

Ethylene
High-resolution spectra
Hot band
Spectroscopic parameters

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics

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10.1016/j.jms.2015.08.010

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Ulenikov, O. N., Gromova, O. V., Bekhtereva, E. S., Kashirina, N. V., Onopenko, G. A., Maul, C., & Bauerecker, S. (2015). Ro-vibrational analysis of the hot bands of (C2H4)-C-13: v(7) + v(10) - v(10) and v(10) + v(12) - v(10): ^{ν 7} + ^{ν 10} - ^ν10and ^ν10+ ^ν12- 1^ν0. Journal of Molecular Spectroscopy, 317, 32-40. https://doi.org/10.1016/j.jms.2015.08.010

Ro-vibrational analysis of the hot bands of (C2H4)-C-13: v(7) + v(10) - v(10) and v(10) + v(12) - v(10) : ^{ν 7} + ^{ν 10} - ^ν10and ^ν10+ ^ν12- 1^ν0. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Kashirina, N. V.; Onopenko, G. A.; Maul, C.; Bauerecker, S.

In: Journal of Molecular Spectroscopy, Vol. 317, 01.11.2015, p. 32-40.

Research output: Contribution to journal › Article

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title = "Ro-vibrational analysis of the hot bands of (C2H4)-C-13: v(7) + v(10) - v(10) and v(10) + v(12) - v(10): ν 7 + ν 10 - ν10and ν10+ ν12- 1ν0",

abstract = "Two {"}hot{"} absorption bands, ν7+ν10-ν10 and ν10+ν12-ν10, of 13C2H4 were recorded for the first time with a Bruker high resolution Fourier transform spectrometer and theoretically analyzed. About 640 and 270 transitions (168 and 136 upper state ro-vibrational energy values) with Jmax.=20,Kamax.=10 and Jmax.=23,Kamax.=9 for the bands ν7+ν10-ν10 and ν10+ν12-ν10, respectively, were assigned. For that purpose strong local resonance interactions with ten other closely located vibrational states were taken into account. A set of 36 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 6.7×10-4 cm and which is close to experimental uncertainties.",

keywords = "Ethylene, High-resolution spectra, Hot band, Spectroscopic parameters",

author = "Ulenikov, {O. N.} and Gromova, {O. V.} and Bekhtereva, {E. S.} and Kashirina, {N. V.} and Onopenko, {G. A.} and C. Maul and S. Bauerecker",

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T2 - ν 7 + ν 10 - ν10and ν10+ ν12- 1ν0

AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Kashirina, N. V.

AU - Onopenko, G. A.

AU - Maul, C.

AU - Bauerecker, S.

PY - 2015/11/1

Y1 - 2015/11/1

N2 - Two "hot" absorption bands, ν7+ν10-ν10 and ν10+ν12-ν10, of 13C2H4 were recorded for the first time with a Bruker high resolution Fourier transform spectrometer and theoretically analyzed. About 640 and 270 transitions (168 and 136 upper state ro-vibrational energy values) with Jmax.=20,Kamax.=10 and Jmax.=23,Kamax.=9 for the bands ν7+ν10-ν10 and ν10+ν12-ν10, respectively, were assigned. For that purpose strong local resonance interactions with ten other closely located vibrational states were taken into account. A set of 36 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 6.7×10-4 cm and which is close to experimental uncertainties.

AB - Two "hot" absorption bands, ν7+ν10-ν10 and ν10+ν12-ν10, of 13C2H4 were recorded for the first time with a Bruker high resolution Fourier transform spectrometer and theoretically analyzed. About 640 and 270 transitions (168 and 136 upper state ro-vibrational energy values) with Jmax.=20,Kamax.=10 and Jmax.=23,Kamax.=9 for the bands ν7+ν10-ν10 and ν10+ν12-ν10, respectively, were assigned. For that purpose strong local resonance interactions with ten other closely located vibrational states were taken into account. A set of 36 varied parameters was obtained from the fit, which reproduces the initial experimental data with the rms deviation of 6.7×10-4 cm and which is close to experimental uncertainties.

KW - Ethylene

KW - High-resolution spectra

KW - Hot band

KW - Spectroscopic parameters

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