Crystal structure, vibrational studies and optical properties of a new organic–inorganic hybrid compound (C10H28N4)CuCl5Cl⋅4H2O.

A new organic–inorganic hybrid material, 1,4-bis(3-ammoniumpropyl) piperazinium pentachloridocuprate(II) chloride tetrahydrate [(C 10 H 28 N 4 )CuCl 5 Cl⋅4H 2 O], has been synthesized and characterized by X-ray diffraction, UV–visible absorption, Infrared and Raman spectroscopy. The compound crystallizes in the orthorhombic system and Pnma space group with a = 8.18 (3) Å, b = 10.96 (5) Å, c = 21.26 (9) Å, V = 2254.3 (15) Å 3 . In this structure, the Cu 2+ ion, surrounded by five chlorides, adopts the square pyramidal coordination geometry. The structure of this compound consists of tetraprotonated 1,4-bis(3-ammoniumpropyl) piperazinium cations and the anionic sublattice is built up of isolated, square pyramid [CuCl 5 ] 3 − units, chloride ion Cl − and water molecules connected with each other by hydrogen bonds. Organic and inorganic entities are interconnected by means of hydrogen bonding contacts [N H⋯O(Cl), O(W) H⋯Cl and O(W) H⋯O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed on the basis of literature data. The optical study was also investigated by UV–Vis absorption. In fact, the organic–inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C 10 H 28 N 4 )CuCl 5 Cl⋅4H 2 O hybrid compound and it showed absorptions characteristics of Cu Cl based layered compounds centered at 275 and 374 nm. [ABSTRACT FROM AUTHOR]