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

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, N. V. Kashirina, G. A. Onopenko, C. Maul, S. Bauerecker

Research output: Contribution to journalArticle

22 Citations (Scopus)

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 languageEnglish
Pages (from-to)32-40
Number of pages9
JournalJournal of Molecular Spectroscopy
Volume317
DOIs
Publication statusPublished - 1 Nov 2015

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vibrational states
Spectrometers
Absorption spectra
Fourier transforms
spectrometers
absorption spectra
deviation
high resolution
interactions
Uncertainty
energy

Keywords

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

ASJC Scopus subject areas

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

Cite this

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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",
year = "2015",
month = "11",
day = "1",
doi = "10.1016/j.jms.2015.08.010",
language = "English",
volume = "317",
pages = "32--40",
journal = "Journal of Molecular Spectroscopy",
issn = "0022-2852",
publisher = "Academic Press Inc.",

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TY - JOUR

T1 - Ro-vibrational analysis of the hot bands of (C2H4)-C-13: v(7) + v(10) - v(10) and v(10) + v(12) - v(10)

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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U2 - 10.1016/j.jms.2015.08.010

DO - 10.1016/j.jms.2015.08.010

M3 - Article

VL - 317

SP - 32

EP - 40

JO - Journal of Molecular Spectroscopy

JF - Journal of Molecular Spectroscopy

SN - 0022-2852

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