American Chemical Society
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Supramolecular Frameworks Constructed by Exclusion Complexes of Symmetric Dicyclohexanocucurbit[6]uril with Benzene Ring-Containing Guests

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journal contribution
posted on 2021-03-25, 18:35 authored by Yan-Mei Jin, Ye Meng, Xi-Nan Yang, Chun Zhu, Zhu Tao, Jing-Xin Liu, Pei-Hua Ma
Supramolecular interactions between symmetric dicyclohexanocucurbit[6]­uril (CyH2Q­[6]) and five benzene ring-containing guests have been studied by various techniques, such as X-ray crystallography, 1H NMR spectroscopy, mass spectrometry, and quantum chemistry calculations. X-ray crystallography shows that the exclusion complexes of CyH2Q­[6] with guests generate supramolecular assemblies with multidimensional and multilevel frameworks. The supramolecular interactions include portal interactions between the negatively electrostatic potential portals of CyH2Q­[6] and the terminal groups of the guests, and the outer-surface interaction between the positively electrostatic potential outer surface of the CyH2Q­[6] and the benzene ring of the guests. In aqueous solution, the experimental data and quantum chemistry calculation results show that all the guests prefer exo binding with CyH2Q­[6].