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The structures of some coordination compounds of cobalt(II) and copper(II) with macrocyclic Schiff bases obtained by the reaction of 9,10-phenanthrenequinone with diamines synthesized in 1:1 molar ratio(s) have been elucidated by various physico-chemical methods viz. elemental analysis, IR, UV-visible, mass, ESR. The surface morphology was determined by SEM analysis. Infrared spectra suggested that ligand was coordinated to the metal ion in a tetradentate manner through azomethine nitrogen atom by the change in its stretching frequency. ESR spectra of copper(II) complexes indicates the presence of unpaired electron in the dx2–y2 by calculating the g values. The optimized geometries which were calculated using the DFT/B3LYP method were compared with the molecular geometries obtained experimentally.

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