Abstract

Synthesis, Characterization, Theoretical Studies and Biological Activities of Mixed Ligand Complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II) and Cu(II) with 2-Hydroxybenzaldehyde and Oxalic Acid

Author(s): Rehab Al-Hassany, Ayad Tariq Mahmood, Enas Zuhair Mohamed, Asmaa Abdul Baqi Maryoosh and Ali Abdul Rasool Hussein

The new mix ligand complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), or Cu(II) with 2-hydroxybenzaldehyde, and oxalic acid were synthesized and characterized by FT-IR, and Uv-Vis spectroscopy, elemental analysis, and flame atomic absorption techniques as well as magnetic susceptibility, and conductivity measurements. The antibacterial activity of the mix ligand metal complexes was studied against two types of pathogenic bacteria micro-organisms (Escherichia coli) and (Staphylococcus aureus). Furthermore, the antifungal activity against two fungi micro-organisms (Candida albicans) and (Aspergillus flavus) was studied too. The work also includes 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 (ΔHf○), binding energy (ΔEb), and total energy (ΔET) of the ligand and its complexes were calculated using (PM3) method at 298 K○. PM3 was used to evaluate the bond length, vibrational spectra, and electronic spectra of the mix ligand metal complexes, also the experimental values were compared. The theoretical results agree with those found experimentally.