The angle of twist between the two phenyl rings in the nematic liquid crystal 4-n-pentyl-4′-cyanobiphenyl

Abstract

The NMR spectrum of the protons in the biphenyl group of 4-n-pentyl-4′-cyanobiphenyl (5CB), was obtained by Sinton et al. (1984, Molec, Phys., 53, 333) and analysed by them to give an angle of twist, φ_min, between the normals to the two phenyl rings of 30 ± 2°. Their analysis made the assumption that V(φ), the potential for rotation about the inter ring bond, is such that only the structures with the minimum energy need be considered when calculating averaged dipolar couplings. Re-analysis of their data by a method which allows for the whole of V(φ) to be sampled when averaging the dipolar couplings yields a value for φ_min of 38.4 ± 0.1°.