Structure of dibenzofuran and dibenzothiophene: Proton NMR study in nematic phases

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Abstract

Proton NMR spectra of dibenzofuran and dibenzothiophene were investigated in the nematic phase of liquid crystals. Dipolar couplings obtained from the spectral analysis were used to derive the inter-proton distance ratios. Deviations from planarity were observed in both molecules, and an attempt was made to determine the extent of non-planarity. Differences in the relative inter-proton distances in the two molecules are explained in terms of the bond polarization hypothesis and the van der Waals and the covalent radii of the oxygen and sulphur heteroatoms.

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