Crystal structure and theoretical investigation of bis(cis-1,2-diaminocyclohexane)zinc(II) tetrachloridozincate(II)

Abstract

Abstract A zinc(II) complex of cis-1,2-diaminocyclohexane (Dach), [Zn(Dach)2][ZnCl4] (1), was prepared and its structure was determined by X-ray crystallography. Theoretical (density functional theory) studies were performed for the two model compounds, [Zn(Dach)2][ZnCl4] (1) and {[Zn(Dach)2][ZnCl4]}3 (1 3 ). The structure of complex 1 is composed of [Zn(Dach)2]2+ cations and [ZnCl4]2− anions. The Zn1 atom in the cationic complex adopts a severely distorted tetrahedral geometry, while in the anionic part, Zn2 displays only a slight distortion from tetrahedral coordination. The adjacent cations and anions are associated with each other through hydrogen bonding interactions to form a two-dimensional network in the solid state.