Drucken (Miniaturbild)

Has AuF7 been made?

Sebastian Riedel, Martin Kaupp— 2006

Quantum chemical calculations at DFT (BP86, B3LYP, BHLYP), MP2, CCSD, and CCSD(T) levels have been carried out on various fluoro complexes of gold in oxidation states +V through +VII, to evaluate the previously claimed existence of AuF₇. The calculations indicate clearly that elimination of F₂ from AuF₇ is a strongly exothermic reaction, with a low activation barrier. This is inconsistent with the reported stability of AuF₇ up to room temperature. A reported experimental vibrational frequency at 734 cm-1 for AuF₇ could not be verified computationally. It is concluded that the reported observation of AuF₇ was probably erroneous. As the calculations indicate also an extremely large electron affinity and little stability for AuF₆, Au⁺V remains the highest well-established gold oxidation state.

TitelHas AuF7 been made?
VerfasserSebastian Riedel, Martin Kaupp
Erschienen inInorg. Chem. 2006, 45, 1228 - 1234