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Liquid Crystals and their Application
Russian Journal

Zhidkie kristally i ikh prakticheskoe ispol'zovanie

Жидкие кристаллы и их практическое использование

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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2013, 1, 80—87.





Influence of Non-Mesomorphic Additives on Properties of Liquid Crystalline Materials. VI. Effect of H-Bond in 13C NMR Spectra



V. V. Aleksandriysky1,2, E. V. Bobritskaya1,2, V. A. Burmistrov1,2, O. I. Koifman1,2

Author affiliations
1Ivanovo State University of Chemistry and Technology, Institute of Macroheterocycles
153000 Ivanovo, Av. F. Engel’s, 7. 
E-mail: nmr@isuct.ru
2G.A. Krestov Institute of Solution Chemistry RAS
Ivanovo, 153045 Russia Akademicheskaya St., 1.

Abstract
The 13C NMR spectra of LC mixtures based on nematic 4-pentyloxy-4'-cyanobiphenyl containing non-mesomorphic compounds (4-aminobenzonitrile, imidazole, 2-methyl-imidazole) were obtained. It was shown that the addition of non-mesogens resulted in the change of the 13C chemical shifts of nitrile group of LC, indicating the formation of H-bonds between mesogen and non-mesogen. Theoretical NMR spectra for the optimized mesogen – non-mesogen supermolecules were obtained using quantum-chemical calculations on the base of DFT method.

Keywords: liquid crystals, mixtures, non-mesomorphic additives, H-bond, NMR spectroscopy, quantum-chemical methods





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