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Imidazole-containing (N3S)-Ni(II) complexes relating to nickel containing biomolecules.

ABSTRACT: Dimeric (N(2)S)Ni complexes and the monomeric N(2)S(2) bismercaptodiazacycloheptane nickel complex, (bme-dach)Ni, serve as precursors to two N(2)-, N'-/ S- complexes where N(2) = diazacycloheptane, N' = imidazole and S = thiolate. As rare examples of nickel complexes containing a mixed thiolate/imidazole ligand set, these complexes are characterized by X-ray diffraction, UV/vis, and variable temperature (1)H NMR spectroscopies, and electrochemistry. Density functional theory computations relate the orientation of the imidazole with respect to the N(2)N'SNi square plane to the VT NMR observed fluxionality and activation parameters. The superoxide dismutase activity of the imidazole complexes was investigated by the nitroblue tetrazolium assay.

SUBMITTER: Jenkins RM

PROVIDER: S-EPMC2908898 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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Imidazole-containing (N3S)-Ni(II) complexes relating to nickel containing biomolecules.

Jenkins Roxanne M RM Singleton Michael L ML Almaraz Elky E Reibenspies Joseph H JH Darensbourg Marcetta Y MY

Inorganic chemistry 20090801 15

Dimeric (N(2)S)Ni complexes and the monomeric N(2)S(2) bismercaptodiazacycloheptane nickel complex, (bme-dach)Ni, serve as precursors to two N(2)-, N'-/ S- complexes where N(2) = diazacycloheptane, N' = imidazole and S = thiolate. As rare examples of nickel complexes containing a mixed thiolate/imidazole ligand set, these complexes are characterized by X-ray diffraction, UV/vis, and variable temperature (1)H NMR spectroscopies, and electrochemistry. Density functional theory computations relate ...[more]

PMID: 19572492

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Project description:New Co(II), Ni(II), and Cu(II) complexes were synthesized with the Schiff base ligand obtained by the condensation of sulfathiazole with salicylaldehyde. Their characterization was performed by elemental analysis, molar conductance, spectroscopic techniques (IR, diffuse reflectance and UV-Vis-NIR), magnetic moments, thermal analysis, and calorimetry (thermogravimetry/derivative thermogravimetry/differential scanning calorimetry), while their morphological and crystal systems were explained on the basis of powder X-ray diffraction results. The IR data indicated that the Schiff base ligand is tridentate coordinated to the metallic ion with two N atoms from azomethine group and thiazole ring and one O atom from phenolic group. The composition of the complexes was found to be of the [ML2]∙nH2O (M = Co, n = 1.5 (1); M = Ni, n = 1 (2); M = Cu, n = 4.5 (3)) type, having an octahedral geometry for the Co(II) and Ni(II) complexes and a tetragonally distorted octahedral geometry for the Cu(II) complex. The presence of lattice water molecules was confirmed by thermal analysis. XRD analysis evidenced the polycrystalline nature of the powders, with a monoclinic structure. The unit cell volume of the complexes was found to increase in the order of (2) < (1) < (3). SEM evidenced hard agglomerates with micrometric-range sizes for all the investigated samples (ligand and complexes). EDS analysis showed that the N:S and N:M atomic ratios were close to the theoretical ones (1.5 and 6.0, respectively). The geometric and electronic structures of the Schiff base ligand 4-((2-hydroxybenzylidene) amino)-N-(thiazol-2-yl) benzenesulfonamide (HL) was computationally investigated by the density functional theory (DFT) method. The predictive molecular properties of the chemical reactivity of the HL and Cu(II) complex were determined by a DFT calculation. The Schiff base and its metal complexes were tested against some bacterial strains (Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Bacillus subtilis). The results indicated that the antibacterial activity of all metal complexes is better than that of the Schiff base.

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Imidazole-containing (N3S)-Ni(II) complexes relating to nickel containing biomolecules.

Publications

Imidazole-containing (N3S)-Ni(II) complexes relating to nickel containing biomolecules.

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