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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2013, 3, 29—34.
Simulation of the Dimers of Pentyl Ester of p-(N-Glucosyliden)Aminobenzoic Acid
T. G. Volkova, Yu. V. Soboleva, I. O. Sterlikova
Author affiliations Ivanovo State University, Faculty of Biology and Chemistry
39, Ermaka street, Ivanovo, 153025, Russia. E-mail: email@example.com
Abstract The possibility of the formation of intermolecular hydrogen bonds in associates of pentyl ester of p-(N-glyukosyliden) aminobenzoic acid (based on the most stable conformer) has been studied. The presence of strong interactions between hydroxide groups of glucose molecule fragments has been established under estimation of the intermolecular interaction energy between two molecules of pentyl ester of p-(N-glyukosyliden) aminobenzoic acid and its decomposition by Morokum’s method. It was shown that the formation of dimers increases the «rigid» part of the molecule and the probability of the mesomorphic properties becomes greater.