Dimensional effects of organic anion templates in modulating the assembly of water clusters in cucurbit[6]uril supramolecular systems

Two new supramolecular architectures {(HC2O4)22−[C6H18N22+ ⊂ C36H36N24O12]}·12H2O (1) and {(C6H5SO3)22−[C6H18N22+ ⊂ C36H36N24O12]}·12H2O (2) were synthesized and characterized by single-crystal X-ray diffraction, thermogravimetric analysis and X-ray powder diffraction. Compound 1 contains infinite two dimensional (2D) L18(8)14(8)8(4) type anion–water aggregates [(HC2O4)4(H2O)22]4− and results in the construction of sandwich-like three dimensional (3D) networks. In compound 2, honeycomb-like three dimensional (3D) networks are fabricated by one dimensional (1D) “W”-like T5(0)A2 type anion–water clusters [(C6H5SO3)(H2O)6]−. These results indicate that anionic groups play a crucial role in modulating the structures of water clusters with their spatial structure and binding sites. In these two structures, the majority of interactions are O…H and H…H interactions on the Hirshfeld surface, which means that hydrogen bonding and hydrophobic interactions are the dominate drive forces in forming these supramolecular systems.

Organic anion templates may adjust the spatial structures of water clusters. Water aggregates construct three dimensional networks with cucurbituril pseudorotaxane frames.Figure optionsDownload as PowerPoint slide