Near-UV to red-emitting charged bis-cyclometallated iridium(III) complexes for light-emitting electrochemical cells

Herein we report a series of charged iridium complexes emitting from near-UV to red using carbene-based (NC)-C-boolean AND: ancillary ligands. Synthesis, photophysical and electrochemical properties of this series are described in detail together with X-ray crystal structures. Density Functional Theory calculations show that the emission originates from the cyclometallated main ligand, in contrast to commonly designed charged complexes using bidentate (NN)-N-boolean AND ancillary ligands, where the emission originates from the ancillary (NN)-N-boolean AND ligand. The radiative process of this series of compounds is characterized by relatively low photoluminescence quantum yields in solution that is ascribed to non-radiative deactivation of the excited state by thermally accessible metal-centered states. Despite the poor photophysical properties of this series of complexes in solution, electroluminescent emission from the bluish-green to orange region of the visible spectrum is obtained when they are used as active compounds in light-emitting electrochemical cells.