Alignment of ¹⁷O-enriched water–endofullerene H₂O@C₆₀ in a liquid crystal matrix

We present a ¹⁷O and ¹H NMR study of molecular endofullerene H₂O@C₆₀ dissolved in the nematic liquid crystal N-(4-methoxybenzylidene)-4-butylaniline (MBBA). The ¹⁷O NMR peak is split into five components by the ¹⁷O residual quadrupolar coupling, each of which is split into a triplet by the ¹H–¹⁷O residual dipolar coupling and scalar coupling. The splittings are analysed in terms of the partial alignment of the encapsulated water molecules. Order parameters describing the alignment are estimated. It is found that the preferential orientation of the endohedral water molecule has the molecular plane perpendicular to the liquid crystal director.