Abstract
In this paper, the host-guest supramolecular interactions between cyclopentanocucurbit[6]uril with 1H-benzotriazole (BTA) have been investigated using 1H NMR spectroscopy, isothermal titration calorimetry (ITC), HPLC-QTOF mass spectrometry, IR spectroscopy, thermogravimetric analysis and single crystal X-ray diffraction. The results show that there is a 1:1 mode of inclusion in BTA@CyP6Q[6], which forms a supramolecular framework through hydrogen bonds and dipole interactions. In addition, the benzene ring of the BTA molecule entered the cavity of CyP6Q[6], while the triazole part resided at the port of the CyP6Q[6]. According to the ITC data, the complexation process for BTA with CyP6Q[6] is mainly driven by enthalpy.
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