Has AuF7 been made?
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.
Riedel
Sebastian
S
Institut für Anorganische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany.
Kaupp
Martin
M