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Effect of the internal rotation of the OH group on the OH stretching vibrational Raman profile of ethanol in the gas phase

J. Chem. Phys. 78, 6559 (1983); doi:10.1063/1.444703

Issue Date: 1 June 1983

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D. Schiel and W. Richter
Physikalisch-Technische Bundesanstalt, D 3300 Braunschweig, Federal Republic of Germany
A quantum mechanical calculation was performed to explain the temperature dependence of the OH stretching vibrational Raman profile of ethanol, which mainly consists in a pronounced increase in scattering intensity on the central region between the two band components caused by rotational isomerism. Introducing the interaction between the stretching vibrational and internal rotational motions of the OH group by means of the angular dependence of the OH stretching frequency, which can be directly taken from the gauche–trans splitting of the OH band in the experimental spectrum, leads to the result that the ``fill-up'' effect observed in the central region can be attributed to vibrational transitions between excited torsional states. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 3 January 1983; accepted 16 February 1983
Permalink: http://link.aip.org/link/?JCPSA6/78/6559/1
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KEYWORDS and PACS

Keywords
PACS
  • 33.20.Fb
    Molecular spectra and interactions of molecules with photons Molecular spectra, grouped by wavelength ranges Raman and Rayleigh spectra (including optical scattering)
  • 33.70.Jg
    Molecular spectra and interactions of molecules with photons Intensities and shapes of molecular spectral lines and bands Line and band widths, shapes, and shifts
  • 35.20.Jv
    Experimentally derived information on atoms and molecules; instrumentation and techniques Molecules Barrier heights (internal rotation, inversion); rotational isomerism, confirmational dynamics
  • YEAR: 1983

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
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REFERENCES (10)

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