METHOD FOR DISCRIMINATING DEGREE OF PURIFICATION OF LIQUID CRYSTAL COMPOUND, TREATMENT METHOD FOR LIQUID CRYSTAL COMPOUND BASED ON THE DISCRIMINATED RESULT, AND SELECTION METHOD FOR LIQUID CRYSTAL COMPOUND

摘要

PROBLEM TO BE SOLVED: To provide an index that can predict the degrees of purification and heat resistances of a variety of liquid crystal compounds and to exactly predict a liquid crystal compound capable of being used for a liquid crystal composition on the basis of the predicted result.;SOLUTION: (1) The maximum value (An) of the reactive electron density of carbon atoms of a purified liquid crystal compound calculated based on the molecular orbital theory and the generation ratios of reaction products (Bn) obtained by treating the liquid crystal compound under reaction-promoting conditions are obtained, (2) the procedure in (1) is repeated in a plurality of purified liquid crystal compounds (6 compounds each shown with a white circular dot in the Figure) to obtain Anr and Bnr whereby the correlation between them is obtained, (3) the produces to obtain the maximum value (X) of the reactive electron density of carbon atoms of a liquid crystal compound (LN) with an unknown purification degree calculated based on the molecular orbital theory and the generation ratios of reaction products (Y) obtained by treating the liquid crystal compound (LN) under reaction-promoting conditions, and (4) the correlation between (Anr, Bnr) (6 white circular dots) obtained by the above procedures in (2) and the relation to X and Y (4 black circular dots in the Figure) obtained by the procedures in (3) are compared, whereby the liquid crystal compounds corresponding to the two circular black dots which are out of a correlation can be discriminated such that the purification of these two liquid crystal compounds is unsatisfactory.;COPYRIGHT: (C)2003,JPO