Syntheses, crystallographic, mass-spectroscopic determination and antioxidant studies of Co(II), Ni(II) and Cu(II) complexes of a new imidazol based Schiff base.

A new imidazole-based Schiff base, 2-((1H-imidazol-4-yl)methyleneamino)benzylalcohol (HL) and corresponding analogous bis(2-((1H-imidazol-4-yl)methyleneimino)benzylalcohol)metal(II) perchlorates (M: Co(1), Ni(2), Cu(3)) have prepared and characterized by elemental analyses, ESI-MS, IR, UV-Vis spectroscopies and conductivity measurements. X-ray single crystal structures of 1 and 2 have been also determined. Elemental analyses, spectroscopic and conductance data of 3 demonstrated similar structural features with these of crystallographically characterized complexes and based upon this relevances, HL ligands are neutrally coordinated to metal(II) ions in tridentate mode and all complexes are isostructural, dicathionic, contain perchlorate anions as complementary ions and, are in octahedral geometry with the formulae of [M(HL)2](ClO4)2 (for 3) and [M(HL)2](ClO4)2·H2O (for 1 and 2).

Electronic structure modeling of dinuclear copper(II)-methacrylic acid complex by density functional theory.

A dinuclear centrosymmetric copper(II) complex with the formula [Cu(2)(mu-maa)(4)(maaH)(2)] has been synthesized and experimentally characterized by IR, electronic spectroscopy, and X-ray single-crystal diffractometry. Starting from experimental X-ray geometry and using antiferromagnetic singlet ground state, gas phase geometry optimization was performed by density functional hybrid (B3LYP) method with 6-31G(d) and LANL2DZ basis sets. Gas-phase vibrational frequencies and single point energy (SPE) calculations have been carried out at the geometry-optimized structure.

2,2'-Bipyridin-1-ium 3-nitro-benzene-sulfonate.

In the title compound, C(10)H(9)N(2) (+)·C(6)H(4)NO(5)S(-), the dihedral angle between the aromatic rings of the cation is 9.42 (7)°. In the crystal, the anions and cations are linked by C-H⋯O and N-H⋯O hydrogen bonds, generating R(2) (1)(5) and R(4) (4)(14) rings, respectively.

Diaqua-bis(ethyl-enediamine-κN,N')copper(II) 2,2'-dithio-dinicotinate sesquihydrate.

In the title compound, [Cu(C(2)H(8)N(2))(2)](C(12)H(6)N(2)O(4)S(2))·1.5H(2)O, there are two half-molecules of the cationic complex in the asymmetric unit. The Cu(2+) ions lie on inversion centres and are octa-hedrally coordinated by two ethyl-enediamine (en) and two aqua ligands in a typical Jahn-Teller distorted environment with the water O atoms in the axial positions.

Sodium p-nitrobenzoxasulfamate monohydrate.

The title compound, alternatively named sodium 6-nitro-3H-1,2,3-benzoxathiazole 2,2-dioxide monohydrate, Na+*C6H3N2O5S-*H2O, consists of chains of NaO7 units, with the seven donor-O atoms coming from two water molecules and five p-nitrobenzoxasulfamate anions. The seven-coordinate geometry around the Na+ ion is described as monocapped trigonal prismatic, but with a large distortion from ideal geometry. Each triangular face is defined by one O atom each from a water molecule, a nitro group and a sulfonyl group.