الفهرس 
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Abstract
New Co(II, III), Ni(II) and Cu(II) complexes have been
synthesized with Schiff base derived from condensation of
N(4)antipyrinylthiosemicarbazide with salicyladehyde (H2L1) and 2-
hydroxynaphthaldehyde (H2L2). The ligands and their metal complexes
are characterized by experimental elemental analyses, conductivity
measurements, FT-IR, UV-Vis, magnetic susceptibility, ESR spectral
analysis, thermal thermogravimetric analyses and theoretical DFT
studies. The TD-DFT calculation results have been used to expect and
explain the experimental results.
The infrared spectra show that the salicylaldehyde N(4)-
antipyrinylthiosemicarbazone ligand (H2L1) behaves as tridentate ligand
(ONS), either in the thione or thiolato form. Stereochemistries are
proposed for the complexes on the basis of both spectral and magnetic
properties. Along with the experimental spectral data of the starting
ligand, its corresponding predicted ones were obtained using the state of
art density functional theory (DFT) in gas and solvent phases. The
obtained results showed a relatively good correlation between the
calculated and experimental spectral data.
Analytical and spectral data indicate that the 2-hydroxy-1-
naphthaldehyde N(4)- antipyrinylthiosemicarbazone ligand (H2L2)
behaves as tridentate ligand (ONS). The Uv-Vis, magnetic moments, ESR
and DFT studies show that all copper(II) complexes have square planar
geometry. However, the experimental and DFT studies showed that
Cobalt(II) and Nickel(II) complexes exhibit tetrahedral geometry.
The investigated Schiff thiosemicarbazones ligand and its
complexes were tested for biological activity against Staphylococcus
aureus and Escherichia coli representing Gram-positive and Gramnegative
bacteria respectively. The data proved that the investigated
compounds have in vitro antibacterial activity. The antibacterial studies
of the prepared compounds screened against pathogenic bacteria indicates
that copper(II) complexes have higher activi.