posted on 2021-03-25, 18:35authored byYan-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].