Fan Ying, Cen Ran, Shan Peihui, Redshaw Carl, Cong Hang, Xiao Xin, Ge Qingmei
Key Laboratory of Macrocyclic and Supramolecular Chemistry of Guizhou Province, Guizhou University, Institute of Applied Chemistry, Guizhou University, Guiyang 550025, China.
Department of Chemistry, University of Hull, Hull HU6 7RX, U.K.
ACS Omega. 2023 Mar 6;8(11):9919-9924. doi: 10.1021/acsomega.2c06989. eCollection 2023 Mar 21.
The supramolecular assembly of symmetrical tetramethylcucurbit[6]uril (TMeQ[6]) and 2-picolylamine (AMPy) has been investigated via various techniques, including ultraviolet-visible (UV-vis) and nuclear magnetic resonance spectroscopy, isothermal titration calorimetry (ITC), and X-ray crystallography. The results indicated that TMeQ[6] could encapsulate the AMPy guest molecule to form a stable inclusion complex. The rotational restriction of the guest in the cavity of TMeQ[6] resulted in a large negative value of entropy. The X-ray crystal structure of the 1:1 inclusion complex between TMeQ[6] and AMPy revealed that AMPy exists in the elliptical cavity of TMeQ[6].
通过多种技术,包括紫外可见光谱(UV-vis)、核磁共振光谱、等温滴定量热法(ITC)和X射线晶体学,对对称四甲基葫芦[6]脲(TMeQ[6])和2-吡啶甲胺(AMPy)的超分子组装进行了研究。结果表明,TMeQ[6]可以包封AMPy客体分子,形成稳定的包合物。客体在TMeQ[6]空腔内的旋转受限导致熵出现较大的负值。TMeQ[6]与AMPy之间1:1包合物的X射线晶体结构表明,AMPy存在于TMeQ[6]的椭圆形空腔中。