Theoretical Study and Biological Activity of Co(II), Ni(II), Cu(II),Pd(II),Pt(IV) and Cd(II) Complexes with2-Thioxoimidazolidin-4-one Derivative

Sallal A. H. Abdullah


The workcontains a theoretical treatment of the preparedligand(3-{[(Z)-(4-nitrophenyl) methyli -dene]amino}-2-thioxoimidazolidin-4-one)[L] and their metal complexes[S1-S6]in the gas phase. Hyperchem-8 program has been used to determined structural geometries of ligand and their met-al complexes. The electrostatic potential(Ep)of the ligand was calculated,furthermore binding en-ergy(ΔEb),the heat of formation(ΔHf),vibration spectra and bond length for the ligand and their metal co -mplexes were calculated by PM3methods at 298K°. The theoretically calculateddata were agreed with those found experimentally. The antibacterial activity for free ligand and its metal complexes(S1-S6)were studied against two selected micro-organisms [(Staphylococcusau-reus) as gram positive]and [(Escherichiacoli)as gram negative]. The minimal inhibitory concen-trations(MIC)have been also studied to determine the low concentration for inhibition. The anti-biotics (Amoxcillin and Ampicillin) have been chosen to compare their activity with those of the new compounds. Furthermore the antif -ungal activity against two microorganisms (Candidaalbi-cans) and (Aspergillusflavus) were studied for all compounds. The results showed great activity of the complexes relative to that of free ligand.


2-thioxoimidazolidin-4-one, complexes, theoretical study, biological activity

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