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Synthesis, characterisation, theoretical studies and Biological activities of Mn (ІІ), Co (ІІ), Ni (ІІ), Cu (ІІ), Cr (ІIІ), Fe (ІIІ) and V (ІV) Complexes with [N, N--bis (3-methyl-imidazilidene-2, 6-diamino-4-methyl pyrimidine)] | ||
| Journal of Research Diyala humanity | ||
| Article 1, Volume 0, Issue 37, 2017, Pages 10-37 | ||
| Authors | ||
| Dina A.K Al-Abdaly; Rehab A.M. Al-Hasan | ||
| Abstract | ||
| A new Schiff base [ N,N--bis(3-methyl-imidazilidene-2,6-diamino-4-methyl pyrimidine ], (IP) have been prepared and characterized by (FT-IR) Spectroscopy and elemental analysis (C.H.N) .(IP) has been used as a chelating ligand to prepare some complexes of ( Mn(П),Co(ІІ), Ni(П), Cu(П), Cr(Ш), Fe(Ш) and V(IV) ions .The prepared complexes were identified and their geometrical were suggested in solid state by using (FT-IR) and (UV-Vis) spectroscopy ,elemental analysis(C.H.N), Flame atomic absorption technique, in addition to magnetic susceptibility and conductivity measurements .The study of the nature of the complexes formed in ethanol following the mole ratio method, gave result which were compared successfully with those obtained from solid state studies . The apparent stability constant of the complexes have been studied with the time and their color were stable for more than (4hours), as well as the molar absorptivities have been calculated. The work also include a theoretical treatment of the formed complex in the gas phase, this was done using the hyperchem-6 program for the molecular mechanics and semi-empirical calculations .The heat of formation (∆Hf°), binding energy (∆EB ) and bond length (∆EL) for ligand (IP) and its metal complexes were calculated by (PM3 and ZNDO1) methods at 298 K°.It was found that the ligand (IP) and it s metal complexes were stable, which agreed well with the experimental stability constants in solution. Further more the electrostatic potential of the free ligand was calculated to investigate the reactive sites of the molecules .PM3 were used to evaluate the vibrational spectra and electronic spectra of the ligand (IP)and it's metal complexes then comparing with the experimental values .The theoretically obtained agreed with those found experimentally. The antibacterial activity for free ligand (IP) and their metal complexeswere studied against two selected micro - organisms [(Pseudonomous aerugionosa) as gram negative] and[(Bacillus Subtilis) as gram positive]. Further more the antifungal activity against two micro-organism (Penicillum Spp.) and (Aspergillus flavus) were studied for all compounds. The results showed great enhancement of activity of the complexes relative to that of their respective free ligand (IP). | ||
| Keywords | ||
| diagnosis; and careful analysis of the elements CHN | ||
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