Infrared spectroscopic and theoretical investigations of novel iridium oxyfluorides.

ABSTRACT

The iridium oxyfluorides (OIrF, OIrF2 and FOIrF) were prepared for the first time by the reaction of IR-laser ablated iridium atoms and OF2, 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 18OF2 substitution and quantum-chemical calculations. The OIrF molecule exhibits triple bond character. In contrast to terminal oxyl radical species OPtF2 and OAuF2, a much lower spin-density contribution at the oxygen atom was found in OIrF2.