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Vibrational spectra structure and features of fluorinated derivatives of carboxylic acids

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.