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NMR study of molecules in anisotropic systems. III—Structure and orientation of 1a,2a,3e,4e,5e,6a-hexachlorocyclohexane in a nematic liquid crystal determined from low-temperature experiments

✍ Scribed by Hideaki Fujiwara; Naoto Shimizu; Tatsuya Takagi; Yoshio Sasaki

Publisher: John Wiley and Sons
Year: 1986
Tongue: English
Weight: 461 KB
Volume: 24
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260240114

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✦ Synopsis

H NMR spectra of la,2a,3e,4e,5e,6a-hexachlorocyclohexane (y-BHC) have been measured in a nematic solution of ZLI2081 at low temperatures to prevent exchange broadening. The spectra were analysed and direct couplings determined. The six-membered ring is most favourably oriented parallel to the solvent molecule. The principal axes of the order matrix Wer from those of the moment of inertia, and the difference is explained as being due to the steric effect of the three axial chlorine atoms. The molecular structure of y-BHC in nematic solution is found to differ from that calculated from the MNDO MO method, but resembles that in the crystal determined by x-ray spectrometry.

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