Experimental and computational investigations of cadmium(II) complexes incorporating 2-benzoylpyridine
摘要:
Three novel cadmium(II) complexes of 2-benzoylpyridine [Cd(bopy)(2)Cl-2] (1). {[Cd(bopy)(mu(1,1)-N-3)(2)]center dot bopy}(n) (2) and [Cd(bopy)(2)(SCN)(2)] (3) were synthesized and characterized by spectroscopic and crystallographic methods. Azide ions of 2 act as bridging ligands generating a 1D chain running along [0 1 0]. The zig-zag chains consisting of {Cd(bopy)(N-3)(2)} units are separated by 2-benzoylpyridine molecules. The fluorescence properties of the complexes 1.2 and 3 were examined both in solid state and solution, and compared with the free ligand. Additionally, the electronic spectrum of 3 were investigated at the TDDFT level employing B3LYP functional in combination with LANL2DZ. (C) 2011 Elsevier Ltd. All rights reserved.