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High-Valent Technetium Fluorides. Does TcF7 Exist?

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Sebastian Riedel, Manuel Renz, Martin Kaupp – 2007

The structures and stabilities of technetium fluorides in high oxidation states have been studied quantum-chemically at density functional theory (B3LYP) and coupled-cluster (CCSD(T)) levels. The calculations indicate clearly that technetium heptafluoride, TcF₇, has a good chance of existence and preparation, thus providing the first heptafluoride in the 4d series. The [TcF₆]⁺ cation, a potential precursor, is also computed to be thermochemically stable against gas-phase elimination reactions. The problem with such highly fluorinated complexes appears thus to be mainly in difficult synthetic access under typical condensed-phase conditions. Matrix-isolation techniques or gas-phase experiments appear to be better suited as starting points.

Titel
High-Valent Technetium Fluorides. Does TcF7 Exist?
Verfasser
Sebastian Riedel, Manuel Renz, Martin Kaupp
Datum
2007
Quelle/n
Erschienen in
Inorg. Chem. 2007, 46, 14, 5734–5738
Zitierweise
DOI: 10.1021/ic7007039
Sprache
eng