Vibrational spectra structure and features of fluorinated derivatives of carboxylic acids

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

doi:10.1117/12.426694

9 May 2001 Vibrational spectra structure and features of fluorinated derivatives of carboxylic acids

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

Proceedings Volume 4243, Saratov Fall Meeting 2000: Laser Physics and Photonics; and Spectroscopy and Molecular Modeling; (2001) https://doi.org/10.1117/12.426694
Event: Saratov Fall Meeting 2000, 2001, Saratov, Russian Federation

Abstract

The results of investigation of polymorphism and mesomorphic states of fluorinated derivatives of alkylcyclohexanecarboxylic acids nFACHCA (where n is the number of carbon atoms in the fluoroalkyl radicals) and the new results for n equals 4, 7 are discussed. The methods of vibrational spectroscopy (experimental, theoretical modeling) have been used. The samples were investigated in the 290 - 500 K temperature range. The spectra were recorded in the range of 400 - 4000 cm^-1. The frequencies of normal modes and IR band intensities are calculated for conformers of H- complexes with various orientations of fluoroalkyl radical and carboxylic group relative to the rest of the molecular complex. The polymorphism of the nFACHCA is conformational. The influence of H-bonds on the dynamics of H-complex, polymorphic crystalline modification and mesophase formation was determined. The transitions 'solid crystal -- liquid crystal -- isotropic liquid and solution' are accompanied by H-bonds system reconstruction, in which the dimers, associates, chain associates and monomers appear.

Citation Download Citation

Lev M. Babkov, E. S. Vedyaeva, S. K. Truchatchev, and G. A. Puchkovskaya "Vibrational spectra structure and features of fluorinated derivatives of carboxylic acids", Proc. SPIE 4243, Saratov Fall Meeting 2000: Laser Physics and Photonics; and Spectroscopy and Molecular Modeling, (9 May 2001); https://doi.org/10.1117/12.426694

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