Chemical Physics Letters, Vol.507, No.1-3, 96-99, 2011
NMR study of a phasmid-like liquid crystal
Carbon-13 NMR measurements of the chemical shifts are reported as a function of temperature for a semi-phasmidic molecule 4-(2,3,4-tridecyloxy-phenylazo)-benzoic acid (TDPABA). The data indicate a dimer structure in the solution and suggest a similar structure also in the nematic phase, which is consistent with it being a phasmid-like liquid crystal. The orientational order parameters are derived in the nematic phase based on the carbon shielding tensors calculated by Density Functional Theory. The nematic order parameter S-zz is found to be (relatively) higher for TDPABA than that found in a typical calamitic liquid crystal, likely due to its underlying columnar phase. (C) 2011 Elsevier B.V. All rights reserved.