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Proceedings Paper

Conformational analysis of alkyl- and fluoroalkylcyclohexanecarboxylic acids by infrared spectroscopy methods
Author(s): Lev M. Babkov; G. A. Puchkovskaya; E. S. Vedyaeva
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Paper Abstract

Modelling of IR spectra has been carried out for alkyl- and fluoroalkylcyclohexanecarboxylic acid sets, which experimental spectra in the temperature range of 77-500 K were received earlier. This modelling took into account the conformational mobility of molecules and the hydrogen bond energy decreasing in H-complexes during heating. Temperature dependent changes of spectra have been shown to be caused by conformational transitions, accompanied with turns of the alkyl (fluoroalkyl) radical or carboxylic groups and the energy decreasing of hydrogen bond during heating.

Paper Details

Date Published: 23 September 2003
PDF: 8 pages
Proc. SPIE 5067, Saratov Fall Meeting 2002: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III, (23 September 2003); doi: 10.1117/12.518615
Show Author Affiliations
Lev M. Babkov, Saratov State Univ. (Russia)
G. A. Puchkovskaya, Institute of Physics (Ukraine)
E. S. Vedyaeva, Saratov State Univ. (Russia)


Published in SPIE Proceedings Vol. 5067:
Saratov Fall Meeting 2002: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III
Dmitry A. Zimnyakov; Vladimir L. Derbov; Leonid A. Melnikov; Lev M. Babkov, Editor(s)

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