基于葫芦[7]脲的超分子配合物的表面包合与动力学

Santos Hurtado Carina, Bastien Guillaume, Lončarić Doroteja, Dračínský Martin, Císařová Ivana, Masson Eric, Kaleta Jiří

Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Flemingovo nám. 2 160 00 Prague 6 Czech Republic

Department of Organic Chemistry, Faculty of Science, Charles University in Prague Hlavova 2030 12840 Prague 2 Czech Republic.

Chem Sci. 2025 Jun 10. doi: 10.1039/d5sc03152d.

A supramolecular complex acting as a molecular rotor was assembled from cucurbit[7]uril and a rigid, rod-shaped molecular anchor. This rotor was then anchored to the facets of a hexagonal tris(-phenylenedioxy)cyclotriphosphazene matrix, forming a regular 2D array. Semi-empirical calculations revealed very low rotational barriers for the macrocyclic units within this array, suggesting smooth rotational motion and promising potential for future applications in dynamic molecular systems.

一种由葫芦[7]脲和刚性棒状分子锚组装而成的超分子复合物，作为分子转子发挥作用。然后将该转子固定在六聚（对苯二氧基）环三磷腈基质的晶面上，形成规则的二维阵列。半经验计算表明，该阵列中的大环单元具有非常低的旋转势垒，这表明其旋转运动顺畅，在动态分子系统中的未来应用具有广阔前景。