title: Synthesis, spectral, crystal structure, thermal behavior, antimicrobial and DNA cleavage potential of two octahedral cadmium complexes: a supramolecular structure.
abstract: Two new cadmium(II) complexes with the formula of CdL2(NCS)2 and CdL2(N3)2 (in which L is 2,2-dimethyl-N,N'-bis-(3-phenyl-allylidene)-propane-1,3-diamine) have been synthesized and characterized by elemental analysis, molar conductivity measurements, FT/IR, UV-Visible, (1)H and (13)C NMR spectra and X-ray studies. The crystal structure analysis of CdL2(NCS)2 indicated that it crystallizes in orthorhombic system with space group of Pbca. Two Schiff base ligands are bonded to cadmium(II) ion as N2-donor chelate. Coordination geometry around the cadmium ion was found to be partially distorted octahedron. The Cd-Nimine bond distances are found in the range of 2.363(2)-2.427(2)Å while the Cd-Nisothiocyanate bond distances are 2.287(2)Å and 2.310(2)Å. The existence of C-H⋯π and C-H⋯S interactions in the CdL2(NCS)2 crystal leads to a supramolecular structure in its network. Then cadmium complexes were screened in vitro for their antibacterial and antifungal activities against two Gram-negative and two Gram-positive bacteria and also against Candida albicans as a fungus. Moreover, the compounds were subjected for DNA-cleavage potential by gel electrophoresis method. Finally thermo-gravimetric analysis of the complexes was applied for thermal behavior studies and then some thermo-kinetics activation parameters were evaluated.
authors.affiliation: Department of Chemistry, Yasouj University, Yasouj 7591874831, Iran. Electronic address: mmzohori@yu.ac.ir.
authors.forename: M
authors.initials: M
authors.lastname: Montazerozohori
authors.affiliation: Department of Chemistry, Yasouj University, Yasouj 7591874831, Iran.
authors.forename: S A
authors.initials: SA
authors.lastname: Musavi
authors.affiliation: Department of Chemistry, Yasouj University, Yasouj 7591874831, Iran.
authors.forename: A
authors.initials: A
authors.lastname: Masoudiasl
authors.affiliation: Department of Animal Sciences, Yasouj University, Yasouj 7591874831, Iran.
authors.forename: A
authors.initials: A
authors.lastname: Naghiha
authors.affiliation: Institute of Physics ASCR, v.v.i, Na Slovance 2, 182 21 Praha 8, Czech Republic.
authors.forename: M
authors.initials: M
authors.lastname: Dusek
authors.affiliation: Institute of Physics ASCR, v.v.i, Na Slovance 2, 182 21 Praha 8, Czech Republic.
authors.forename: M
authors.initials: M
authors.lastname: Kucerakova
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D002104:Cadmium / Q000737:chemistry*; D002176:Candida albicans / Q000187:drug effects; D060326:Chemistry Techniques, Synthetic; D056831:Coordination Complexes / Q000737:chemistry* / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D004247:DNA / Q000737:chemistry / Q000378:metabolism; D004055:Differential Thermal Analysis; D006090:Gram-Negative Bacteria / Q000187:drug effects; D006094:Gram-Positive Bacteria / Q000187:drug effects; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D012545:Schiff Bases; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D000890:Anti-Infective Agents; D056831:Coordination Complexes; D012545:Schiff Bases; D002104:Cadmium; D004247:DNA
keywords: Cd(II); DNA cleavage; Octahedron; Schiff base; TG/DTG analysis; X-ray