Yan-Mei Jin, Dao-Fa Jiang, Ye Meng, Jie Gao, Jun Zheng, Pei-Hua Ma
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Crystal structure of self-assembled inclusion complex of symmetric dicyclohexanocucurbit[6]uril with 1H-benzotriazole
The host and guest supramolecular interactions between symmetric dicyclohexanocucurbit[6]uril (CyH2Q[6]) and 1H-benzotriazole (BTA) were investigated using nuclear magnetic resonance spectroscopy, isothermal titration calorimetry (ITC), MALDI-TOF mass spectrometry and single-crystal X-ray diffraction analysis. From the experimental results, it was concluded that there was a 1:1 mode of inclusion in BTA@CyH2Q[6]. In addition, the benzene ring of the BTA molecule entered the cavity of CyH2Q[6], while the triazole part was at the port of the CyH2Q[6], forming a supramolecular framework. According to ITC, the complexation process for BTA with CyH2Q[6] is exothermic and mainly driven by enthalpy.
期刊介绍：
The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites.
The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.
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