Studies on some transition metal complexes of 1,4-bis(2-hydroxyethyl) piperazine by physico-chemical methods / Mahmoud Ahmed Mabrouk Said ; Supervised Mohamed M. Shoukry , Mohamed R. Shehata , Shokry A. Shokry

Thesis (Ph.D.) - Cairo University - Faculty of Science - Department of Inorganic Chemistry

The thesis involves the synthesis and characterization of [M(BHEP)Cl₂], where M = (Pd, Mn, Co, Ni, Cu and Zn) and BHEP = 1,4-bis(2-hydroxyethyl)piperazine. Stoichiometry and stability constants of the complexes formed between various biologically relevant ligands (amino acids, peptides, DNA constituents and dicarboxylic acids) and [Pd(BHEP)(H₂O)₂]²⁺ are investigated at 25{u00BA}C and 0.1 M ionic strength. Complex formation equilibria of binuclear Pd(}}) complexes involving 1,4-bipiperidine and some selected DNA constituents are studied. The concentration distributions diagrams of the various species formed are evaluated. The kinetics of base hydrolysis of free and coordinated amino acid esters are investigated. The effects of dielectric constant and temperature on the ki netics of base hydrolysis of the glycine methyl ester in presence of [Pd(BHEP)(H₂O)₂]²⁺ complex are studied. Thermogravimetric analysis for Pd(BHEP)Cl2 and Pd(BHEP)CBDCA are studied. The TGA curves of Pd(BHEP)Cl2 and Pd(BHEP)CBDCA exhibits two and four decomposition steps, respectively, leaving a residue of palladium metal in both cases. The thermodynamic parameters of the decomposition steps for Pd(BHEP)C₂ and Pd(BHEP)CBDCA were calculated using Coats-Redfern and Horowitz-Metzger methods. X- ray single crystals of [Pd(BHEP)Cl2] and [Pd(BHEP)CBDCA] complexes are studied. Density Functional Theory (DFT) calculations have been carried out to investigate the most stable geometries of the ligands, Pd(BHEP)Cl₂ and Pd(BHEP)CBDCA complexes.

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