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Synthesis, Structural Study and Theortical Treatment of New Some Metal Complexes with 2-hydroxy-4-nitro Phenyl 2-N(4-N,N dimethyl ) Benzyliden | ||
| Al-Mustansiriyah Journal of Science | ||
| Article 1, Volume 21, Issue 2, 2010, Pages 41-56 | ||
| Authors | ||
| Shaimaa R. Bakir; | ||
| Abstract | ||
| A new imine, 2-hydroxy-4-nitro phenyl 2-N(4-N,N dimethyl ) benzyliden and its metal complexes with Cr(III), Mn(II), Fe (II),Co(II),Ni(II) ,Cu(II) and Zn(II) ions , were synthesized and identified, their structural geometries were suggested by using flame atomic absorption technique ,FT-IR and uv-vis Spectroscopy , in addition to magnetic susceptibility and conductivity measurements . Structural geometries of these compounds were also suggested in gas phase by using theoretical treatments, using HyperChem-6 program through molecular mechanics and semi-empirical calculations .The heat of formation(∆Hf ◦) and binding energy (∆Eb)for the free ligand and it’s metal complexes were calculated by using PM3 method ,PM3 was used also to evaluate the vibration spectra of Schiff base and compared with the theoretically calculated wave numbers with experimental values by using 2-hydroxy-4-nitro aniline as authentic compound.The theoretically results helped us to assign unambiguously the most diagnostic bands | ||
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