Abstract
A high-resolution 13C NMR study is reported on the antiferroelectric liquid crystal MHPOBC, 4-[(1-methylheptyloxy)carbonyl]phenyl 4-[4-(octyloxy)biphenyl]carboxylate. The structures of the two alkyl chains, the chiral and achiral chains, are analyzed using isotropic shielding constants, cross polarization efficiency, and the field alignment-induced shifts. A comprehensive theoretical treatment for the alignment-induced shift is given. It is shown that the average direction of the chiral chain deviates from the molecular long axis by as much as 43° (bent chain structure), while that of the achiral chain extends along the molecular long axis. The relationships of this particular shape of the molecule with the emergence of the molecular biaxiality and with the onset of antiferroelectricity are discussed.
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