Novel thiocyanate complexes of cadmium(II) - Synthesis, spectroscopic characterization, X-ray studies and DFT calculations |
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| Authors: | B Machura I NawrotK Michalik |
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| Institution: | a Department of Crystallography, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland
b University of Silesia, A. Che?kowski Institute of Physics, Department of Medical Physics, ul. Uniwerytecka 4, 40-007 Katowice, Poland |
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| Abstract: | Three novel thiocyanate cadmium(II) compounds Cd(ind)2(SCN)2]n (1), Cd(dpa)Cl(SCN)]n (2) and Cd(terpy)(SCN)2] (3) were synthesized and characterized by spectroscopic and crystallographic methods. Thiocyanate ions of 1 act as bridging ligands generating a one-dimensional chain constructed of Cd(SCN)2Cd units and expanding along the crystallographic direction 1 0 0]. The Cd(II) ions of 2 are bridged by alternating di-μ-Cl and di-μ1,3-NCS bridges to one-dimensional chain running along the crystallographic direction 0 1 0]. Cd(terpy)(SCN)2] (3) is a square pyramidal mononuclear compound.The fluorescence properties of the complexes 1 and 2 were examined in solid state, whereas fluorescence spectra of 3 were recorded in both solid state and solution. All they were compared with the fluorescence properties of the free ligands. Additionally, the electronic spectrum of 3 were investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. |
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| Keywords: | Coordination polymer Cadmium Thiocyanate bridge X-ray Electronic spectra DFT calculations |
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