Interconversion of Copper(I) to Copper(II): Synthesis, Crystal Structure, UV-Vis Spectrum, and DFT Studies of [Cu(Phterpy)2] (BF4)2(Phterpy = 4′-phenyl-2,2′ : 6′, 2′-terpyridine)

Abstract

A new binuclear copper (I) complex, [Cu(Phterpy)2] (BF4)2 (1), (Phterpy = 4′-phenyl-2,2′ : 6′, 2′-terpyridine), was synthesized. The interconversion to copper (II) complex [Cu(Phterpy)2] (BF4)2, from the reaction of [Cu(CH3CN)4]BF4 with Phterpy in CH3CN, has been established. The new complex was characterized by IR, UV-Vis spectrum, and X-ray crystal structure analysis. The structural analysis shows each copper (I) in the complex 1 is six-coordinated in an octahedral geometry, adopting layered structure, respectively. UV-Vis absorption spectra changing with time and DFT calculations show that the copper complex in acetonitrile is [Cu(Phterpy)2] (BF4)2.