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 .