Supramolecular Self‐Assembly Modes of Cyclopentanocucurbit[6]uril and Aromatic Amines

Abstract

ZnCl 2 has been used as a structural inducer in hydrochloric acid solution to construct three supramolecular frameworks of action utilizing cyclopentanocucurbit[6]uril (CyP 6 Q[6]) as the host and (4-aminophenyl)methanol (G1), 4-benzylaniline (G2), and 4,4'-diaminobenzophenone (G3) as guests. The structure was confirmed using X-ray single crystal diffraction, 1 HNMR spectroscopy, and mass spectroscopy (MS). The results showed that G1 entered the molecular cavity of CyP 6 Q[6], CyP 6 Q[6] had portal and outer-surface interactions with G2, and G3 only acted on the outer surface of CyP 6 Q[6] with calcium ion coordination.

Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles

“…The hydrophobic effect of the cavity and the negative charge of the port are two essential characteristics of Q [n]s that aid in forming various host-guest compounds due to their exceptional selectivity and affinity for particular molecules. [7][8][9][10][11] These unique properties of Q[n]s have led to their widespread use in ion recognition, 12,13 supramolecular catalysis, 14,15 drug carriers, 16,17 and luminescent materials. 18,19 However, Q [6,8,10] have inferior solubility due to their highly symmetrical spatial structure, which can be improved and modied by introducing substituents on the waist of the Q[n]s. A series of modied cucurbit[n]urils have been reported, such as methyl, hydroxyl, cyclopentyl, and cyclohexyl substituted Q[n] s. [20][21][22][23][24] Tetramethyl cucurbit [6]uril (TMeQ [6]) exhibits superior water solubility and greater affinity compared to Q [6].…”