The chemistry of the superheavy elements. II. The stability of high oxidation states in group 11 elements: Relativistic coupled cluster calculations for the di-, tetra- and hexafluoro metallates of Cu, Ag, Au, and element 111

  title={The chemistry of the superheavy elements. II. The stability of high oxidation states in group 11 elements: Relativistic coupled cluster calculations for the di-, tetra- and hexafluoro metallates of Cu, Ag, Au, and element 111},
  author={M. Seth and Fiona Cooke and Peter Schwerdtfeger and Jean Louis Heully and Michel P{\'e}lissier},
  journal={Journal of Chemical Physics},
The stability of the high oxidation states +3 and +5 in Group 11 fluorides is studied by relativistic Mo/ller–Plesset (MP) and coupled cluster methods. Higher metal oxidation states are stabilized by relativistic effects. As a result, the hexafluoro complex of the Group 11 element with nuclear charge 111 and oxidation state +5 is the most stable compared to the other congeners. The results also suggest that AgF6− is thermodynamically stable and, therefore, it might be feasable to synthesize… 

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