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Where Is the Limit of Highly Fluorinated High-Oxidation-State Osmium Species?

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Sebastian Riedel, Martin Kaupp – 2006

The structures and stabilities of various osmium fluorides and oxyfluorides in high oxidation states have been studied by quantum-chemical calculations at DFT (B3LYP), MP2, CCSD, and CCSD(T) levels. The calculations indicate that the homoleptic fluorides all the way up to OsF₈ may exist, even though OsF₈ will be difficult to prepare. The last missing osmium oxyfluoride, OsOF₆, is computed to be thermochemically stable against mononuclear gas-phase elimination reactions. The problem with the nonexistence of such highly fluorinated complexes appears thus to be mainly in difficult synthetic access under typical condensed-phase conditions. Matrix-isolation techniques might provide a means to characterize the highly fluorinated Osⱽᴵᴵᴵ and Osⱽᴵᴵ species.

Titel
Where Is the Limit of Highly Fluorinated High-Oxidation-State Osmium Species?
Verfasser
Sebastian Riedel, Martin Kaupp
Datum
2006
Quelle/n
Erschienen in
Inorg. Chem. 2006, 45, 26, 10497–10502
Zitierweise
DOI: 10.1021/ic061054y
Sprache
eng