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The Journal of Chemical PhysicsVolume 102, Issue 8, 1995, Pages 3104-3109

Vibrational spectroscopy of polypyrrole, theoretical study(Article)

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  • aInstitute of Physics, P. O. Box 57, 11001 Belgrade
  • bFaculty of Electrical Engineering, P. O. Box 816, 11001 Belgrade
  • cV. I. Vernadski Institute of Geochemistry and Analytical Chemistry, C. I. S. Academy of Sciences, V-334 Moscow, Russian Federation

Abstract

Theoretical vibrational spectra of polypyrrole are presented, based on a single-periodic-chain model and harmonic potential in-plane and out-of-plane parameters transferred from the pyrrole molecule. The infrared-absorption intensities were included in the calculations for the first time in polypyrrole. Experimental spectra are analyzed and compared with theoretical ones. Some modes in the experimental spectra indicate the presence of nonplanar conformation. Also, Raman frequencies were compared with experimental ones. Significant effects of electron-phonon coupling are absent. © 1995 American Institute of Physics.

  • ISSN: 00219606
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1063/1.468620
  • Document Type: Article

  Kostić, R.; Institute of Physics, P. O. Box 57,
© Copyright 2017 Elsevier B.V., All rights reserved.

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