Synthesis and crystallographic investigation of two new neutral Ir(III) complexes bearing 6-(phenyl)phenanthridine ligands

Herein, we report two new iridium(III) complexes ( 1 and 2 ), featuring 6-(phenyl)phenanthridine derivatives as cyclometalating (C^N) ligands and pyridyl-triazole or pyridyl-pyrazole ancillary (L^X) ligands. The synthesis of the two compounds was performed by reaction of the 6-(phenyl)-phenanthridine chloro-bridged dimer with the pyridyl-triazole/pyridyl-pyrazole (L^X) ligand. Single crystals of both complexes ( 1 and 2 ) were grown and analyzed by X-ray diffraction. Full crystallographic characterization and comparison of 1 and 2 solid-state structures is reported. Spectroscopic characterization revealed similar emissive properties for 1 (λ max = 650 nm; τ deg = 1.43 μs, QY deg = 11.6 %) and 2 (λ max = 660 nm; τ deg = 1.45 μs, QY deg = 12.1 %). • We synthesized and characterized two 6-(phenyl)phenanthridine-based Ir(III) complexes. • Their crystal structures revealed subtle differences in molecular geometry. • Differences in packing were governed by H-bonding capabilities of ancillary ligands. • Photophysical properties were mainly influenced by the phenanthridine-based ligands.