Journal of Physical Chemistry, Vol.100, No.43, 17157-17165, 1996
Order Parameters and Carbon Shielding Tensors of Some Anthracene-Derivatives from C-13 NMR Experiments
The orientational order parameters and approximate C-13 Shielding tensors of anthracene and of six of its 9,10-derivatives, 9,10-dihydroanthracene, 9,10-dimethylanthracene, 9,10-dibromoanthracene, anthraquinone, 9,10-diphenylanthracene, arid 9,10-bis(phenylethynyl)anthracene, dissolved in the nematic liquid crystal ZLI-1167 have been determined using a recently proposed C-13 NMR method. The biaxial order parameters obtained are compared with some current theoretical models of ordering. We find that none of these mean field approaches have fully satisfactory predictive capabilities.
Keywords:CHEMICAL-SHIFT TENSORS;POLYCYCLIC AROMATIC-COMPOUNDS;NEMATIC LIQUID-CRYSTALS;SINGLE-CRYSTAL;MOLECULES;SOLVENTS;MNDO