Chiral Mesogenic Nanomaterials. New Molecular Parameters for Prognosis of Chiral Mesomorphism of Discotic Mesogens

Abstract
A series of 55 discotic mesogens of different chemical structure with chiral centers was investigated. 35 out of 55 compounds exhibit chiral mesomorphism, while the other 20 form achiral structures. The modeling of molecular structures for these compounds was carried out using the HyperChem software package. Calculation and analysis of the molecular parameters introduced in order to isolate a subclass of chiral discotic mesogens from the class of discotic mesogens were performed. We analyzed the information content of the parameters, and on the basis of this analysis we offered two new the most informative parameters that allow to predict the formation of twisted supramolecular structures of discotic mesogens of various chemical classes with the reliability ≥ 70 %.

Keywords: chiral discotic mesogens, molecular parameters, prognosis of mesomorphism