Investigation of the structure of polymorphous modifications of fluoroalkylcyclohexanecarboxylic acids by infrared spectroscopy methods

L. Babkov, E. Martynova, G. Puchkovska, A. Slepoukhine, E. Vedyaeva
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Abstract

The results of investigation of polymorphism and mesomorphic states of fluorinated derivatives of alkylcyclohexanecarboxylic acids nFACHCA and new results for n=4, 7 are discussed. The methods of vibrational spectroscopy have been used. The samples were investgiated 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-bonded complexes with varioius orientations of fluoroalkyl radical and carboxylic group relative to the rest of the molecular compelx. The polymorphism of the nFACHCA is conformational. The influence of H-bonds on dynamics of H-bonded complex, polymorphic crystalline modification and mesophase formaiton was determined. The transitions solid crystal-liquid crystal-isotropic liquid and soution are accompanied by H-bond system reconstruction: the dimers, associates, chain associates and monomers appear.
红外光谱法研究氟烷基环己烷羧酸的多形修饰结构
讨论了烷基环己烷羧酸氟化衍生物nFACHCA的多态性和亚构态的研究结果以及n= 4,7时的新结果。采用了振动光谱学的方法。样品在290 ~ 500 K的温度范围内进行了研究。光谱记录在400-4000 cm-1范围内。计算了具有不同取向的氟烷基自由基和羧基的h键配合物相对于其他分子配合物的构象的正态模式频率和红外波段强度。nFACHCA的多态性是构象的。测定了氢键对氢键配合物动力学、多晶改性和中间相形成的影响。固-晶-液晶-各向同性液体和溶液的转变伴随着氢键体系的重构:二聚体、缔合物、链缔合物和单体的出现。
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