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Synthesis, crystal structures, antimicrobial activities, and DFT calculations of two new azido nickel(II) complexes

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Two new complexes, [Ni(HL1)(N3)(μ1,1N3)]2 (1) [HL1: NC5H4CH3C=NNH (C=O) NH2] and [Ni(L2)N3] (2) [HL2: NC5H4HC=N NH(C=S)NH2], have been synthesized by reaction of Ni(OAC)2·4H2O and sodium azide with HL1 and HL2 and characterized by elemental analysis, FT-IR, and UV–vis spectral studies. Single-crystal X-ray diffraction reveals that 1 is dinuclear with nickel(II) in an octahedral environment of NNO donors of HL1, two nitrogens of azide bridges and one nitrogen of terminal azide; 2 is mononuclear containing nickel(II) in a distorted square-planar environment of NNS donors of HL2 and one terminal azide. The structures of 1 and 2 have been optimized by density functional theory. The results of antimicrobial activities of ligands, 1 and 2 demonstrated that HL2 and 2 have good antimicrobial activity in contrast with HL1 and 1, related to the presence of sulfur donor in HL2.
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Keywords: Antimicrobial activity; Azido ligand; Nickel(II) complex; Semicarbazone and thiosemicarbazone Schiff base; X-ray structure

Document Type: Research Article

Affiliations: 1: Faculty of Chemistry, Department of Inorganic Chemistry, Tabriz University, Tabriz, Iran 2: Institute of Physics of the ASCR, v.v.i., Prague, Czech Republic 3: Departamento de Química Fundamental, Universidade da Coruña, Acoruña, Spain 4: Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, India

Publication date: June 18, 2014

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