Design, Synthesis and Photophysical properties of an Iridium(III) complex bearing an Indolo[3,2,1-jk]carbazole-decorated NHC ligand

The synthesis and characterization of a novel blue-green emitting neutral heteroleptic iridium(III) complex Ir(dFppy)2(iCzmi) (PL = 505 nm in MeCN) is reported. This represents the first example of an NHC ligand bearing an indolo-[3,2,1-jk]carbazolyl (iCz) unit, and the first use of an iCz containing ligand as the ancillary ligand in a heteroleptic Iridium(III) complex. The influence of the iCz moiety on the photophysical properties of Ir(dFppy)2(iCzmi) is explored by comparing its properties with those of the reference emitter – Ir(dFppy)2(pmi). Both complexes show similar photophysical properties, which are rationalized in terms of a detailed computational study.