Comparison of the orientational order parameters determined from X-ray diffraction and¹³C NMR studies of a hockey stick-shaped compound

Abstract

Orientational order parameters (OOP's) have been determined in the Smectic A, Smectic C1 and Smectic C2 phases of a hockey stick-shaped compound from X-ray diffraction measurements and compared with NMR measurements. While the OOP values from NMR measurements abruptly drop at the Smectic C1 to Smectic C2 transition, those determined from X-ray diffraction measurements decreases sharply at the Smectic A to Smectic C1 transition. This drop in the OOP values from X-ray measurements has been explained using a model where the molecular director is randomly oriented in a cone about the smectic layer normal. OOP's from X-ray diffraction and NMR measurements have been successfully fitted with McMillan's theory, after necessary correction to the potential, incorporating tilt angles, for three homologues with n = 10, 11 and 12. The temperature dependences of the optical birefringence, dielectric anisotropy and OOP values determined from birefringence measurements of compound 11 are also reported.