scholarly journals Bioactive Co(II), Ni(II), and Cu(II) Complexes Containing a Tridentate Sulfathiazole-Based (ONN) Schiff Base

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 3062
Author(s):  
Aurora Reiss ◽  
Nicoleta Cioateră ◽  
Aurelian Dobrițescu ◽  
Mihaela Rotaru ◽  
Alice Carla Carabet ◽  
...  
Keyword(s):  
Thermal Analysis ◽  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Density Functional ◽  
Chemical Reactivity ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Thiazole Ring ◽  
Spectroscopic Techniques

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.

scholarly journals Synthesis and Spectral Analysis of Some Metal Ions Complexes with Mixed Ligands of Schiff Base and 1, 10-Phenanthroline

2017 ◽  
Vol 14 (1) ◽  
pp. 135-147
Author(s):  
Baghdad Science Journal
Keyword(s):  
Schiff Base ◽  
Metal Ions ◽  
Metal Complexes ◽  
Mass Spectrometer ◽  
Schiff Base Ligand ◽  
Metal Ion ◽  
Molecular Structures ◽  
Spectroscopic Techniques ◽  
Metal Ion Complexes ◽  
Free Schiff Base

The free Schiff base ligand (HL1) is prepared by being mixed with the co-ligand 1, 10-phenanthroline (L2). The product then is reacted with metal ions: (Cr+3, Fe+3, Co+2, Ni+2, Cu+2 and Cd+2) to get new metal ion complexes. The ligand is prepared and its metal ion complexes are characterized by physic-chemical spectroscopic techniques such as: FT-IR, UV-Vis, spectra, mass spectrometer, molar conductivity, magnetic moment, metal content, chloride content and microanalysis (C.H.N) techniques. The results show the formation of the free Schiff base ligand (HL1). The fragments of the prepared free Schiff base ligand are identified by the mass spectrometer technique. All the analysis of ligand and its metal complexes are in good agreement with the theoretical values indicating the purity of Schiff base ligand and the metal complexes. From the above data, the molecular structures for all the metal complexes are proposed to be octahedral

scholarly journals Aqua(2,2′-bipyridine-κ2N,N′){(E)-[(5-chloro-2-oxidobenzylidene)amino-κ2N,O]methanesulfonato-κO}zinc

2012 ◽  
Vol 68 (4) ◽  
pp. m517-m517
Author(s):  
Yi-Fang Deng ◽  
Xue Nie ◽  
Chun-Hua Zhang
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Schiff Base Ligand ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral ◽  
Tridentate Schiff Base

In the title compound, [Zn(C8H6ClNO4S)(C10H8N2)(H2O)], the ZnIIatom is six-coordinated by two O atoms and one N atom from a tridentate Schiff base ligand and two N atoms from a chelating 2,2′-bipyridine ligand and one water molecule, forming a slightly distorted octahedral geometry. In the crystal, O—H...O hydrogen bonds link pairs of complex molecules into dimers. An intramolecular O—H...O hydrogen bond is also present.

Two New Copper (II) Complexes with the Same NNO Donor Schiff Base Ligand: A Monomer and a Dimer

2012 ◽  
Vol 67 (3) ◽  
pp. 192-196
Author(s):  
Bao Lin Liu ◽  
Yan Xia Wang ◽  
Ruo Jie Tao
Keyword(s):  
Experimental Data ◽  
Thermal Analysis ◽  
Schiff Base ◽  
Magnetic Measurements ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Antiferromagnetic Exchange ◽  
X Ray ◽  
Distorted Octahedral ◽  
Best Fit

Two new copper(II) complexes, [(CuL)2(μ1,1-N3)2]・2H2O (1) and [Cu(HL)(2,2ʹ-bipy)- (CH3COO)]・ClO4・H2O (2), have been synthesized using the tridentate NNO Schiffbase ligand 2- [(2-aminoethylimino)methyl]-6-methoxyphenol (HL). They have been characterized by elemental analysis, IR spectroscopy, thermal analysis, and single-crystal X-ray analysis. The copper environment is distorted square pyramidal in complex 1: two nitrogen atoms and one oxygen atom from the ligands and two nitrogen atoms from two azido ligands build the coordination polyhedron around the copper atom. The Cu-Nazide-Cu angle in complex 1 is 85.6°. This is unusually small in comparison with the same angle in other end-on doubly azido-bridged dimers. Complex 2 is mononuclear with the Cu atom having a slightly distorted octahedral geometry. Magnetic measurements of 1 have been performed in the temperature range from 2 to 300 K. The experimental data indicate an antiferromagnetic exchange interaction between copper(II) ions bridged by the azido ligand. The best-fit parameters for complex 1 are g = 2.18 and J = −1.31 cm−1.

scholarly journals Evaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes

2020 ◽  
Vol 32 (9) ◽  
pp. 2187-2194
Author(s):  
A. SUDHA ◽  
S. ARULMOZHI ◽  
S.J. ASKAR ALI
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Density Functional ◽  
Antioxidant Activities ◽  
Geometry Optimization ◽  
Docking Study ◽  
Basis Sets ◽  
Frontier Molecular Orbital ◽  
Molecular Docking Study

By condensing pyrene-1-carbaldehyde and 4-aminoantipyrine, a Schiff base ligand, (Z)-1,5-dimethyl-2-phenyl-4-((pyren-1-ylmethylene)- amino)-1H-pyrazol-3(2H)-one and its Cu(II), Ni(II), Co(II) and Zn(II) complexes have been synthesized. The ligand and its metal complexes were characterized by FT-IR, UV-visible, 1H & 13C NMR, ESI-mass spectra and elemental analysis. The antidiabetic and antioxidant activities of the synthesized Schiff base ligand and its metal complexes were studied. The molecular docking study of human pancreatic α-amylase (PDB: 1HNY). Furthermore, Theoretical analysis of geometry optimization and frontier molecular orbital analysis (HOMOLUMO) was accomplished by density functional theory using B3LYP/3-21G*++ basis sets to understand the chemical stability of the synthesized ligand and their metal(II) complexes.

scholarly journals Crystallographic and Computational Electron Density of dx2-y2 Orbitals of Azo-Schiff Base Metal Complexes Using Conventional Programs

Molecules ◽  
2021 ◽  
Vol 26 (3) ◽  
pp. 551
Author(s):  
Yuji Takiguchi ◽  
Yuika Onami ◽  
Tomoyuki Haraguchi ◽  
Takashiro Akitsu
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Electron Density ◽  
Base Metal ◽  
Density Functional ◽  
Distorted Octahedral Geometry ◽  
Planar Geometry ◽  
Coordination Bonds ◽  
Schiff Base Metal Complexes

The crystal structures of two azobenzene derivative Schiff base metal complexes (new C44H40CuN6O2 of P-1 and known C44H38MnN6O7 of P21/c abbreviated as Cu and Mn, respectively) were (re-)determined experimentally using conventional X-ray analysis to obtain electron density using a PLATON program. Cu affords a four-coordinated square planar geometry, while Mn affords a hexa-coordinated distorted octahedral geometry whose apical sites are occupied by an acetate ion and water ligands, which are associated with hydrogen bonds. The π-π or CH-π and hydrogen bonding intermolecular interactions were found in both crystals, which were also analyzed using a Hirshfeld surface analysis program. To compare these results with experimental results, a density functional theory (DFT) calculation was also carried out based on the crystal structures to obtain calculated electron density using a conventional Gaussian program. These results revealed that the axial Mn-O coordination bonds of Mn were relatively weaker than the in-plane M-N or M-O coordination bonds.

DNA cleavage mechanism by metal complexes of Cu(II), Zn(II) and VO(IV) with a schiff-base ligand

Biochimie ◽  
2021 ◽  
Vol 186 ◽  
pp. 43-50
Author(s):  
María R. Rodríguez ◽  
Martín J. Lavecchia ◽  
Beatriz S. Parajón-Costa ◽  
Ana C. González-Baró ◽  
María R. González-Baró ◽  
...  
Keyword(s):  
Schiff Base ◽  
Metal Complexes ◽  
Schiff Base Ligand ◽  
Dna Cleavage
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