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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.

SUBMITTER: Lu Y

PROVIDER: S-EPMC10324458 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature

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Infrared spectroscopic and theoretical investigations of novel iridium oxyfluorides.

Lu Yan Y Medel Robert R Deng Guohai G Riedel Sebastian S

Chemical communications (Cambridge, England) 20230706 55

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 term ...[more]

PMID: 37341052

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