A Hirshfeld surface analysis,crystal structure,and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

Abstract

The new coordination compound, [Cu(H₂PO₄)₂(C₁₂N₂H₈)H₂O]·2H₂O, was prepared and characterized by physico-chemical studies. In this monomeric complex, the central Cu(II) atom is in a square pyramidal environment and chelated by two nitrogen atoms of 1,10-phenanthroline, two dihydrogeno-monophosphate oxygen atoms and one water oxygen atom. Intermolecular interactions were investigated by Hirshfeld surfaces. The ³¹P NMR spectrum of this paramagnetic complex displays a relatively sharp peak at 2,070?ppm. The vibrational absorption bands were identified by infrared spectroscopy. Electronic properties such as HOMO and LUMO energies were derived.