Infrared spectroscopic and theoretical investigations of novel iridium oxyfluorides

The iridium oxyfluorides (OIrF, OIrF(2) and FOIrF) were prepared for the first time by the reaction of IR-laser ablated iridium atoms and OF(2), isolated in solid neon and argon matrices. The assignments of the main vibrational absorptions of these products were supported by a combined analysis of IR-matrix-isolation spectroscopy with (18)OF(2) substitution and quantum-chemical calculations. The OIrF molecule exhibits triple bond character. In contrast to terminal oxyl radical species OPtF(2) and OAuF(2), a much lower spin-density contribution at the oxygen atom was found in OIrF(2).