Synthesis, characterization, X-ray structure and DFT calculations of a bistridentate Co(III) complex based on the 2,6-bis(8′-quinolinyl)pyridine ligand

Abstract

2,6-Bis(8′-quinolinyl)pyridine (bqp) reacts with cobalt (II) acetate tetrahydrate in methanol with subsequent oxidation to give mer-[Co(bqp-κ3N,N′,N″)2](Br3)3. X-ray crystallographic data on mer-[Co(bqp-κ3N,N′,N″)2](Br3)3 show that the bqp ligands achieve a mutually meridional arrangement and adopt a twisted, near-octahedral arrangement relative to the cobalt center. UV–vis absorption and cyclic voltammetry data suggests that the complex is highly promising for applications in a DSSC. Electronic and structural characteristics are supported by DFT calculations.