Author name:
امل حسين نعيثل الزيدي
Supervisor name:
محسن عريبي الدخيلي | ابراهيم عبود فليفل
Abstract:
The thesis include preparation and characterization of some new derivations of, 1,3,4-thiadiazole ,1,2,4-triazole and 1,3,4-oxadiazole as ligands that describe blowThe new complexes were prepared from the reactions of ligands L1, L2, L3, and L4 with transition metal salts (CrCl3.6H2O, FeCl3, CoCl2.6H2O and NiCl2.6H2O). | The elemental analysis (CHN), Infrared (IR) Spectroscopy, Nuclear magnetic resonance spectroscopy (1H NMR), Mass spectra magnetic Susceptibility and flame atomic absorption were used to characterize the structural formula of these ligands and their complexes. | Based on the results of the analytical and spectral measurements of the prepared complexes in this study, and compare them with literature in relation to coordinate sites in ligand. We can suggest the following shapes for the complexes : | 1- With regard to L1 we can conclude that its tridentate with [Cr (III), Fe (III) and Co (III)], In addition to the presence of three of the chloride ions, the geometric shape can be proposed to be octahedral geometry. For nickel (II) Complex the ligand acts as bidentate with two chlorine ions, the geometry is tetrahedral geometry (weak field ligand). | 2-for L2 we can conclude that its tridentate with [Cr (III), Fe (III) and Co (III)], In addition to the presence of three of the chloride ions, the geometric shape can be proposed to be octahedral geometry. For nickel (II) Complex, the ligand acts as bidentate with two chlorine ions, the geometry is square plainer geometry (strong field ligand). | 3 -for L3 we can conclude that it's bidentate with [Cr (III), Fe (III) and Co (III)], In addition to the presence of two of the chloride ions, the geometric shape can be proposed to be tetrahedral geometry. For nickel (II) Complex, the ligand acts as bidentate with two chlorine ions, the geometry is square plainer geometry (strong field ligand). | 4 - For L4 we can conclude that it is bidentate with [Cr (III), Fe (III) and Co (III)], In addition to the presence of two of the chloride ions with two molecule of ligand, the geometric shape can be proposed to be octahedral geometry. For nickel (II) Complex, the ligand acts as bidentate with two chlorine ions, the geometry is square plainer geometry (strong field ligand). | The study also examined the electrical conductivity for both of L1, L3 and their complexes with (Co(III), Fe(III), and Cr(III)) in the presence and absence of iodine. | The study showed that both L1 and L3 are semiconductors and the electrical conductivity of L1 is greater than that of L3. The complexes of these ligands has significantly increased their electrical conductivity and Iron complexes are the most complex electrical conductivity complexes. | As for iodine doping of ligands and their complexes, it was found that iodine increases the conductivity of ligands while decreasing the conductivity of the complexes. However, despite the decrease in the conductivity of the complexes, the conductivity is still higher than those of the free ligands. | A theoretical study for ligands (L1 and L3) and their complexes by Gaussian 09 program and calculate the total energy , HOMO ,LUMO and energy gap for all the studied compounds were found semiconductor
