The purpose of my thesis is to prepare four new ligands (L1-L4) that have been used to prepare a series of metal complexes by reacting them with metal ions: M=(Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) Where succinyl chloride was used as a raw material for the preparation of bi-dented ligands (L1-L4) by reacting it with potassium thiocyanate as a first step and then reacting with (2-aminobenzothiazole, Benzylamine, 4-aminoantipyrine, Sulfamethoxazole) respectively as a second step with the use of dry acetone as a solvent, the chemical formula of the four ligands prepared in succession: N1,N4-bis(benzo[d]thiazol-2-ylcarbamothioyl)succinamide (L1) N1,N4-bis(benzylcarbamothioyl)succinamide (L2) N1,N4-bis((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl) carbamothioyl)succinamide (L3) N1,N4-bis((4-(N-(5-methylisoxazol-3-yl)sulfamoyl) phenyl) carbamo thioyl) succinamide (L4) The new ligands were identified using spectroscopic measurements that included (FT-IR spectra, UV-Vis spectra, and nuclear magnetic resonance (1H, 13CNMR) spectra, mass spectra, elemental analysis (C.H.N.S), and thermal analysis (TGA&DSC), as the results of the measurements proved to be identical to the proposed molecular formula for these ligands. A series of metal complexes for ligands was also prepared, which included seven complexes for each ligand, by adding each of the metal ions to the four ligands prepared in succession to produce the following molecular formulas: - [M2(L)Cl4] , L= L1, L2, L3, L4 (M= Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II)) The prepared complexes were diagnosed by several techniques, including the study of the infrared spectra of the prepared complexes, and when comparing those spectra with the spectra of each of the four ligands prepared in the free form, these gave clear changes, including the emergence of a new band within the fingerprint area. It was not originally present in the spectra of ligands in their free form, and this is due to the occurrence of coordination between the metal ions under study and the donor atoms, which are the oxygen atom of the (C=O) group, and the sulfur atom of the (C=S) group in the ligands. (L1-L4), while other distinct bands were obtained with clear changes in shape, intensity, and location, and this is an indication of the occurrence of a coordination process between the metal ions under study and the four prepared ligands. The percentage of metal ions in the prepared complexes was determined by flame atomic absorption spectrometry, where it was shown from the careful analysis of the elements the great agreement between the percentages calculated theoretically and obtained practically. The magnetic sensitivity results showed that some of the prepared metallic complexes have paramagnetic properties. The measurements of the molar conductivity of the prepared complexes dissolved in DMSO at a concentration of 1×10-3 M and at the laboratory temperature showed that they are of a non-electrolytic nature. The prepared complexes were also studied through solubility, melting point, and ultraviolet-visible techniques, and through the data of all the aforementioned techniques, structural formulas were proposed for the prepared complexes, through which it was found that the prepared ligands are bivalve chelating ligands that lead to their participation as ligand into complexes with a tetrahedral geometric shape for all metallic complexes under study. The research included a study evaluating the antioxidant activity of some selected metal complexes by studying the amount of radical scavenging of DPPH* compared to ascorbic acid as an antioxidant reference agent. The zinc complex showed higher activity than the nickel complex compared to standard ascorbic acid. The [Cu2(L1)Cl4] and [Co2(L1)Cl4] complexes were also tested as antibodies to inhibit the breast cancer cell line (MCF-7) and compared with the normal cell line (HdFn), where the copper complex showed the ability to inhibit the cancerous cell line compared with the cobalt complex. The molecular binding of ligands (L3) and (L4) was also studied, and their possibility of using them as drugs in the treatment of some diseases, where the ligand L3 showed better association with the active site of the enzyme than the ligand L4, and is expected to highest antimicrobial effect. Finally, the biological effect of the prepared ligands and some of their complexes on the growth of two types of bacteria, Escherichia coli and Staphylococcus aureus, was studied using DMSO solvent, where the complexes showed greater activity than the ligands against the selected types of bacteria.
Twelve compounds containing a sulphur- or oxygen-based heterocyclic core, 1,3- oxazole or 1,3-thiazole ring with hydroxy, methoxy and methyl terminal substituent, were synthesized and characterized. The molecular structures of these compounds were performed by elemental analysis and different spectroscopic tequniques. The liquid crystalline behaviors were studied by using hot-stage optical polarizing microscopy and differential scanning calorimetry. All compounds of 1,4- disubstituted benzene core with oxazole ring display liquid crystalline smectic A (SmA) mesophase. The compounds of 1,3- and 1,4-disubstituted benzene core with thiazole ring exhibit exclusively enantiotropic nematic liquid crystal phases.
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Two series of Schiff Bases [VI]n and thiazolidin-4-one derivatives[VII]n were synthesized by many steps starting from cyclization of 4- hydroxyacetophenon with thiourea in iodine to yield 1,3-thiazole compound which was reacted with pentoxy bromide in anhydrous potassium carbonate to converted compound[II] and this reacted with Phenol to yield azo compound[III]. The azo compound reacted with ethyl chloro acetate in basic medium to get a new easter compound[IV] which is converted to their acid hydrazid[V]. The later compound condensation with n-alkoxy benzaldehyde to give new Schiff bases[VI]n . Imine group undergoes addition cyclization with thioglycolic acid to get thiazolidinone compounds[VII]n .Also, two new series of Schiff Bases [XII]n
... Show MoreAbstract New derivatives of 1,2,4- triazole , 1,2,4-triazole -3-one and 1,2,4-triazole-3-thione were obtained through this research. Acid hydrazide derivative was present from reaction of poly acryloyl chloride with hydrazine hydrate in presence of DMF as a solvent then reacted with benzonitrile and its derivatives to give 1,2,4-triazole derivatives. After that reaction of poly acryloyl chloride with semicarbazide and semithiocarbazide to form semicarbazone and semithiocarbazone derivatives respectively. Finally, closing of semicarbazone and semithiocarbazone derivatives with 2% NaOH gave 1,2,4-triazole -3-one and 1,2,4-triazole-4-thione derivatives respectively. These new synthesized products have been characterized by infrared, 1 H-n
... Show Morein this work the polymides were prepared as rthemally stable polymers by diffrent ways
The 4-(?-bromo acetyl)-4?-toluene sulfonanilide (2) was used as key intermediate to synthesize new heterocyclic compounds. This bromo compound was synthesized via sulfonation of amino group of p-amino acetophenone using Hinsburg method with 4-toluene sulfonyl chloride to form 4-acetyl-4?-toluene sulfonanilide (1) which is used as a starting material in this work. This compound was brominated to yield compound (2) which is used as a precursor to synthesize new five and seven membered heterocyclic compounds such as substituted 1,3-oxazoles (3,4), 1,3-thiazole derivatives (5-7), thiourea compounds (8a,b), 1,3-Thiazoline-2-thione compounds (9a-f) and 1,2,5-triazepine compounds (11a-d). The synthesized compounds were identified depending u
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Four new complexes of Pd(II), Pt(II) and Pt(IV) with DMSO solution of the ligand 8-[(4-nitrophenyl)azo]guanine (L) have been synthesized. Reaction of the ligand with Pd(II) at different pH gave two new complexes, at pH=8, a complex of the formula [Pd(L)2]Cl2.DMSO (1) was formed, while at pH=4.5,the complex[Pd(L)3]Cl2.DMSO (2) was obtained. Meanwhile, the reaction of the ligand with Pt(II) and Pt(IV) revealed new complexes with the formulas[Pt(L)2]Cl2.DMSO (3)and [Pt(L)3]Cl4.DMSO (4) at pH 7.5 and 6 respectively.
All the preparations were performed after fixing the optimum pH and concentration. The effect of time on the stability of these complexes was checked. The stoichiometry of the complexes was determined by the mole ratio and Job
The construction of embankment for roadway interchange system at urban area is restricted due to the large geometry requirements, since the value of land required for such construction is high, and the area available is limited as compared to rural area. One of the optimum solutions to such problem is the earth reinforcement technique which requires a limited area for embankment construction. Gypseous soil from Al-Anbar governorate area was obtained and subjected to various physical and chemical analysis to determine it is properties. A laboratory model box of 50x50x25 cm was used as a representative embankment; soil has been compacted in five layers at maximum dry density (modified compaction) and an aluminum reinforcement strips were i
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The construction of embankment for roadway interchange system at urban area is restricted due to the large geometry requirements, since the value of land required for such construction is high, and the area available is limited as compared to rural area. One of the optimum solutions to such problem is the earth reinforcement technique which requires a limited area for embankment construction. Gypseous soil from Al-Anbar governorate area was obtained and subjected to various physical and chemical analysis to determine it is properties. A laboratory model box of 50x50x25 cm was used as a representative embankment; soil has been compacted in five layers at maximum dry density (modified compaction) and an aluminum reinforcement strips we
... Show MoreThe charge transfer at C23H17F8N8O2PRu, C44H30BF4N5O4Ru, C56H52CL5N5OOsP2 and C76H88F80N24O11P10Ru4 nitrosyl complexes are investigation and studies theoretically using the quantum consideration. Charge transfer behavior largely rely to the electric properties of nitrosyl complexes system whose depending on the main important parameters for the transmission rate constant such that: orientation transition energy, overlapping coupling coefficient, driving force energy, height barrier and Temperature T (K). Data results have been evaluated using a MATLAB program. Results show that rate of charge transfer increases due to increases the orientation transition energy.
Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies. It was found that for C8b-C5a , C5-C4 , and C5-H5 reactions it is often possible to identify one pathway for bond breakage through the singlet or triplet states. The atomic charges , dipole moment and nuclear – nuclear repulsion energy supported the breakage bond .Also, it was found that the activation energy value for C5-H5 bond breakage is lower than that required for C8b-C5a , C5a-C5 , C5-C4 bonds which refer to C5-H5 bond in acenaphthylene molecule are weaker than C8b-C5a , C5a-C5 , C5-C
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