Study on the Host-Guest Interactions Between Tetramethyl Cucurbit[6]uril and Benzimidazole Derivatives

In this paper,^(1)H NMR spectroscopy,isothermal titration calorimetry,X-ray crystallography and other characterization methods were used to investigate the interaction modes of tetramethyl cucurbit[6]uril(TMeQ[6])and three benzimidazole derivatives in an aqueous solution-solid state.The results showed that the aromatic ring moieties in the three derivatives all entered the cavity of TMeQ[6]and their substituents were located at the port of TMeQ[6],forming 1:1 host-guest inclusion complexes.The crystal structures showed that the aromatic part of the benzimidazole derivatives interacted with the cavity of TMeQ[6]via hydrogen bond interactions and the N atoms on the benzimidazole ring formed hydrogen bonds with the carbonyl oxygen of TMeQ[6].The ion-dipole interactions between[ZnCl_(4)]^(2-)and TMeQ[6]formed supramolecular self-assembly entities.