Iridium(III) complexes with octahedral geometry are interesting for potential applications in photonic devices or biomedical fields. An exciting property that these complexes contain is the heavy atom-induced strong spin-orbit coupling, which results in efficient intersystem crossing and thus high triplet quantum yield. These complexes are also well-known in the community to contain to carry efficient phosphorescence, which makes them excellent materials for light-emitting devices with impressive external quantum efficiency.  Experimentalists have synthesized nine new Iridium(III) complexes with diimine (N^N) ligands bearing various electron withdrawing/donating groups. These complexes exhibit absorption spectra sensitive to these groups. Their photophysical properties were investigated systematically via UV-vis absorption and emission. Time-dependent density functional theory (TDDFT) calculations were performed to complement experimental data and aid in our understanding of the characteristics of the optical transitions and their manipulations by ligand modifications.

Effects of electron withdrawing/donating groups at diimine ligands on absorption spectra of iridium (III) complexes

256th National Meeting (2018)

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