Encapsulation of Chloride-water cluster anion [Cl6(H2O)8]6- in a cage structure based [Cu(DMAP)4]2+ aggregation

A well chloride-water cluster [Cl-6(H2O)(8)](6-) in the complex [Cu-3(DMAP)(12)Cl-6 center dot 8H(2)O] (DMAP=N,N'-dimethyl p-aminopyridine) has been investigated structurally in the solid state. The chloride-water cluster [Cl-6(H2O)(8)](6-) is stabilized and orderly arranged by hydrogen bonds which display high symmetry. Six hosts [Cu(DMAP)(4)](2+) cationic form a cage-like aggregation, and chloride-water [Cl-6(H2O)(8)](6-) cluster located in the cage. Cl- anion play an important role to connect cubane-like (H2O)(8) water cluster forming [Cl-6(H2O)(8)](6-) cluster, and on the other hand, to connect cage-like [Cu(DMAP)(4)](2+) cationic aggregation by means of ionic electrostatic interaction and long-range coordinate bond interaction. The formation of such a cluster anion may be available for insight into the nature of hydration of chloride in H2O. [GRAPHICS] .