Theoretical and Experimental Studies on Synthesis and Characterization of Nickel(Ii), Copper(Ii) and Zinc(Ii) Complexes Derived From New 1,10-Phenanthroline Dione Derivatives.
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Date
2015-06-06
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Addis Ababa University
Abstract
Theoretical calculations using DFT/B3LYP methods were undertaken to evaluate the structural and spectral characteristics of two chelating ligands 1,10- Phenanthroline 5,6- dione dihydrozone (PDDH ) and 1,10-Phenanthroline 5,6-diiminoethanol (PDDIE), in order to assess their potentiality towards metal complex formation. Encouraged by the conclusions from these studies, attempts were made to prepare these ligands and their Ni(II), Cu(II) and Zn(II) complexes.
Prompted by the fai1ure to synthesize the ligand PDDH, by the reaction between 1,10- Phenanthroline 5,6- dione (PD) and hydrazine; preparation of Ni(II), Cu(II) and Zn(II) complexes of PDDH was successfully achieved through template synthesis in which each metal complex of PD (in 2:1 mole ratio) in alcoholic solution was treated with hydrazine( in one mole ratio). Synthesis of the second ligand, PDIE and its complexes with Ni(II), Cu(II) and Zn(II) was fruitfully completed.
Characterization of the PDDH- metal complexes, PDDIE and its metal complexes by physical, analytical(C, H. N, Cl and metal), conductance, spectral (IR, 1HNMR, 13CNMR, UV-Vis-NIR, AAS) and magnetic susceptibility studies was done. Satisfactory correlation of theoretical and experimental studies was attempted. Polymeric structures with mixed geometries and mixed chelating sequences (NNNN and NN for PDDH and NNOO and NN for PDDIE) were proposed for the metal complexes on the basis of the observed subnormal magnetic susceptibilities/ moments which are in tune with analytical and spectral studies.
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1,10-Phenanthroline, 1,10-Phenanthroline 5,6-Dione, 1,10-Phenanthroline 5, 6-Dihydrazone, 6-Diiminoethanol, Nickel, Copper and Zinc Complexes