Experimental and computational investigations of cadmium(II) complexes incorporating 2-benzoylpyridine

Three novel cadmium(II) complexes of 2-benzoylpyridine [Cd(bopy)2Cl2] (1), {[Cd(bopy)(μ1,1-N3)2]·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)(N3)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.

Three novel cadmium(II) complexes of 2-benzoylpyridine [Cd(bopy)2Cl2] (1), {[Cd(bopy)(μ1,1-N3)2]·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)(N3)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.Figure optionsDownload as PowerPoint slideHighlights
► Three novel cadmium(II) complexes of 2-benzoylpyridine were synthesized.
► The compounds were identified by IR, UV–Vis spectroscopy and X-ray analysis.
► Fluorescence properties of 1, 2 and 3 were examined and compared with free ligands.
► The electronic spectrum of 3 were investigated at the TDDFT level.