अमूर्त

Synthesis, characterization, theoretical studies and biological activities of naringinmetal complexes

RehabAbdul MahdiAl-Hassani, Olfat A.Nife1,Ayad T.Mahmood,AdilA.Awad

The new metal complexes of Cr (III), Mn (II), Fe (III), Co (II), Ni (II) and Zn (II) with naringin(L)were synthesized and were characterized by elemental and thermal analyses as well as FT-IR and UV-Vis Spectra. The magnetic properties and electrical conductivities of metal complexes were also determined. Study of the nature of the complexes formed in ethanol following the mole ratio method. The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperchem-8) program for the molecular mechanics and semi-empirical calculations. The heat of formation (ÄHfï‚°), binding energy (ÄEb)and total energy (ÄET) for ligand and their complexes were calculated by (PM3) method at 298 Kï‚°. The electrostatic potential of the free ligand (L) was calculated to investigate the reactive sites of the molecules. PM3 were used to evaluate the bond length, vibrational and electronic spectra for the ligand (L) and their metal complexes then comparing with the experimental values. The theoretical results agreed with those found experimentally. The antibacterial activity for the (L) and its metal complexes were studied against two types of pathogenic bacteriamicro-organisms (Escherichia coli) and (staphylococcus aureus). Furthermore the antifungal activity against two micro-organism (Candida albicans) and (Aspergillusflavus) were studied for (L) ligand and their metal complexes.