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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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Rus Eng


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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2011, 2, 18—26.

Comparative Analysis Of Mesomorphism Prognosis of Mono- and Disubstituted by Chiral Fragments of Hexaalkoxytriphenylenes

O. B. Akopova, M. G. Bulavkova, A. Yu. Shaykova

Author affiliations
Ivanovo State University, Nanomaterials Research Institute
153025 Ivanovo, Ermak Str., 39. 

We present the data on the molecular design of 96 chiral discotic mesogens belonging to the class of mono- and disubstituted by chiral fragments of hexaalkoxytriphenylenes. Building and optimizing of molecules’ models have been performed using HyperChem program by MM+ method. It is established that 64 of 96 compounds are inclined to form Col mesomorphism. The chiral mesomorphism is predicted as equiprobable for 58 derivatives of triphenylene. When comparing the prognosis data on mono- and disubstituted by chiral fragments triphenylene ethers, the positive effect of the second chiral substituent on the mesomorphism appearance is revealed. At introducing of dehydrocholic acid residue as a chiral substituent, displacement of a positive prognosis to the first members of a homological series is observed. Introducing of two abietic or dehydrocholic acid residua also leads to a positive prognosis of mesomorphism already for the first members of homologous series of hexaalkoxytriphenylenes.

Keywords: discotic mesogens, chiral mesophase, mesomorphism prognosis, molecular parameters, triphenylene derivatives

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