Four new cyclometalated phenylisoquinoline-based Ir(III) complexes: Syntheses, structures, properties and DFT calculations

Four new cyclometalated phenylisoquinoline-based Ir(III) complexes 5a-5d have been synthesized and characterized. The crystal structures of 5a and 5c have been determined. The photophysical and electrochemical properties of all complexes have been investigated, and the lowest-energy electronic transitions have been analyzed by means of time-dependent density functional theory.