Understanding the role of cyclometalating ligand regiochemistry on the photophysics of charged heteroleptic iridium(III) complexes

Abstract

The ability to tune the emission energy of cyclometalated iridium(III) complexes through ligand modification is well understood. Changing the electronic profile of functional groups affords complexes that exhibit emission spanning the visible spectrum, but the regiochemistry of substitution, and its effect on photophysical properties beyond emission energy, remains less explored. In this paper we investigate the substitution pattern of an electron-donating (-OCH3) and electron-withdrawing (-CF3) functional group around the phenyl-ring of 2-phenylpyridine cyclometalating ligands. A family of heteroleptic [Ir(C∧N)2(phen)]PF6 complexes, containing C∧N as the cyclometalating and 1,10-phenanthrol..