Prediction of columnar mesophases for dipyrrole and crown derivatives

The molecular parameters of a new series of molecular structures, dipyrrole and crown derivatives, were calculated. The parameters of 27 hypothetical structures were compatible with the suggestion of the existence of columnar mesophases. It was shown for the example of substituted dipyrroles that mo lecular parameter values could be used to distinguish between structures wi th the classic mesomorphism (nematic and smectic liquid crystals) and struc tures with columnar phases.