A novel self-assembled chain of water molecules in a metal-organic framework of Cu(II) with isophthalate

A novel coordination polymer, {[Cu(ip)(Him)2(H2O)] · 3H2O} (1), (ip = isophthalate, Him = imidazole) was prepared under hydrothermal conditions and its structure is determined by single-crystal X-ray diffraction. X-ray structural analysis reveals that 1D zigzag metal-organic framework was connected to form a 3D metal-organic framework by a novel infinite 1D water chain constructed by five- and six-membered rings through edge-sharing. These water chains behave as glue to stabilize the 3D network. Upon removal of the water molecules by heating, the 3D structure breaks down. Thermogravimetric analysis, infrared, X-ray powder diffraction studies, elemental analysis and magnetic analysis were performed to characterize this compound.

Two cyclic water pentamer units construct the puckered-stair-shaped octamer water cluster. The octamers were assembled into a 1D water chain along a axis via O3w–H⋯O2wB and symmetry-related hydrogen bonds. This unprecedented 1D water chain consists of fused five- and six-membered ringsFigure optionsDownload as PowerPoint slide