CRYSTAL STRUCTURE AND SPECTROSCOPIC PROPERTIES OF ISOTHIOCYANATO[(3,14-DIMETHYL-2,6,13,17-TETRAAZATRICYCLO(16.4.0.0~(7,12))DOCOSANE)]COPPER(II) THIOCYANATE

摘要

A new complex [Cu(L~1)(NCS)]SCN,where L~1 = 3,14-dimethyl-2,6,13,17-tetraazatri-cyclo(16.4.0.0~(7,12))docosane is prepared and characterized by single crystal X-ray crystallo-graphic analysis.The complex crystallizes in the triclinic space group P1 with two mononuclear formula units in a cell of dimensions a = 7.9681(2),b = 8.8644(2),с = 18.8165(5) A,α = 76.758(70),β = 78.490(2) and γ = 77.679(2)°.The Cu(II) ion is five-coordinate in an axially elongated square pyramidal environment,with the four amine N atoms at the equatorial positions and the N atom of one thiocyanate at an apical site.The macrocyclic cyclam moiety adopts a stable trans-Ill configuration.The Cu-N basal plane bond length has a mean value of 2.037(2) A.The coordinated Cu-NCS bond length is 2.322(3) A.The N atom of the thiocyanate anion is connected to the macrocychc ligand of the cation via an NH...N(CS) hydrogen bond.The UV-visible absorption and IR spectral properties are also discussed.