Conformational analysis of alkyl- and fluoroalkylcyclohexanecarboxylic acids by infrared spectroscopy methods

Lev M. Babkov; G. A. Puchkovskaya; E. S. Vedyaeva

doi:10.1117/12.518615

23 September 2003 Conformational analysis of alkyl- and fluoroalkylcyclohexanecarboxylic acids by infrared spectroscopy methods

Lev M. Babkov, G. A. Puchkovskaya, E. S. Vedyaeva

Author Affiliations +

Proceedings Volume 5067, Saratov Fall Meeting 2002: Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III; (2003) https://doi.org/10.1117/12.518615
Event: Saratov Fall Meeting 2002 Laser Physics and Photonics, Spectroscopy, and Molecular Modeling III; Coherent Optics of Ordered and Random Media III, 2002, Saratov, Russian Federation

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.

Citation Download Citation

Lev M. Babkov, G. A. Puchkovskaya, and E. S. Vedyaeva "Conformational analysis of alkyl- and fluoroalkylcyclohexanecarboxylic acids by infrared spectroscopy methods", 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); https://doi.org/10.1117/12.518615

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