CRYSTAL STRUCTURE AND SPECTROSCOPIC PROPERTIES OF ISOTHIOCYANATO[(3,14-DIMETHYL-2,6,13,17-TETRAAZATRICYCLO(16.4.0.07,12)DOCOSANE)]COPPER(II) THIOCYANATE
M.A. Subhan1, S.W. Ng2, C.-S. Lee3, J.-H. Choi4
1Shah Jalal University of Science and Technology, Sylhet, Bangladesh
2University of Malaya, Kuala Lumpur, Malaysia
3Keimyung University, Daegu, Republic of Korea
4Andong National University, Andong, Republic of Korea
jhchoi@anu.ac.kr
Ключевые слова: square pyramidal geometry, copper(II), macrocyclic ligand, thiocyanate, trans-III configuration
Страницы: 773-780
Аннотация
A new complex [Cu(L1)(NCS)]SCN, where L1 = 3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.07,12)docosane is prepared and characterized by single crystal X-ray crystallographic analysis. The complex crystallizes in the triclinic space group P with two mononuclear formula units in a cell of dimensions a = 7.9681(2), b = 8.8644(2), c = 18.8165(5) Å, 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-III configuration. The Cu-N basal plane bond length has a mean value of 2.037(2) Å. The coordinated Cu-NCS bond length is 2.322(3) Å. The N atom of the thiocyanate anion is connected to the macrocyclic ligand of the cation via an NH…N(CS) hydrogen bond. The UV-visible absorption and IR spectral properties are also discussed.
DOI: 10.15372/JSC20170414
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