Synthesis and full characterization of an iridium B–H activation intermediate of the monocarba-closo-dodecaborate anion

The preparation and full characterization of an iridium complex of the monocarba-closo-dodecaborate anion is reported. It was prepared by B–H bond activation using a tosyl amide directing group.

Analysis by spectroscopic methods and X-ray crystallography revealed the presence a direct B–Ir interaction. The carborane acts as aB,N chelating ligand towards the Ir(Cp*)(solvent) fragment, resulting in a monomeric complex that is inert in solution and the solid state.

Treatment with N-chlorosuccinimide resulted in selective monochlorination of the B–Ir position. In addition, its structure, spectroscopic features and reactivity were investigated by DFT calculations.