الفهرس | Only 14 pages are availabe for public view |
Abstract The main aim of the present thesis is focused on the preparation and characterization employing elemental analyses, thermal (TG and DrTG), spectral (IR, UV-Visible, 1H NMR and ESR) mass and magnetic measurements of new complexes of (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetraazacyclohexadeca-4,8,12,16-tetraene (EDHDH) and (2E)-3,6,10,13-tetramethyl-2,7,9,14-tetraaza-1,8(1,4)-dibenzenacyclotetradecaphane-2,6,9,13-tetraene (PDHDH) with Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Cd(II), Zn(II), Hg(II) and V(VI)O2+2 metal ions. The geometries are suggested for the prepared complexes based on the data evaluated from spectral and magnetic measurements; all complexes have octahedral geometries. The molecular modeling are drawn and showed bond length and angle, chemical reactivity, Mulliken population analysis, energy components and binding energy for all the title compounds Also MEP, were calculated for both ligands using DFT method. Detailed thermal analysis for the prepared complexes was performed in the temperature range 30- 800˚C. various decomposition stages are determined from the TG and DrTG using the Coats-Redfern and Horowitz-Metzger methods. This section includes also the determination of the thermodynamic parameters of activation (ΔH*, ΔS* and ΔG*). The optical band gap (Eg) of some complexes were calculated from absorption spectra. The band gap values suggest that these complexes are semi-conductors and lie in the same range of highly efficient photovoltaic materials. The antibacterial activity and the bleomycin dependant DNA damage activity were applied for EDHDH and PDHDH and their metal complexes. |