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Complexes of Cr+3, Ni+2 and Cu+2 with the ligand 2-(p- nitrobenzoyl) thiobenzimidazol) (L) were prepared
and characterized by FT-IR ,UV-Visible, TG analysis ,Atomic absorption spectroscopy , Molar
conductivity and magnetic moments measurements .The general formula has been suggested for all the
prepared complexes [Cr(L)2Cl2]Cl.4H2O, [Ni(L)2(H2O)2]Cl2.2H2O and [Cu(L)2(H2O)2]Cl2.2C2H5OH to be an
octahedral geometry. A theoretical treatment of these compounds in gas phase was done using
HyperChem.8.7 program. Semi –empirical PM3 method was performed to evaluate the ∆H° ƒ, ∆ Eb and
∆ET for all compounds, also vibration frequencies, electronic spectra and electrostatic potential HOMO
and LUMO energies for the ligand was estimated to de
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