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.