• Title of article

    Platinum fluorides beyond PtF6?

  • Author/Authors

    Riedel، نويسنده , , Sebastian، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2007
  • Pages
    5
  • From page
    938
  • To page
    942
  • Abstract
    Quantum-chemical calculations at DFT B3LYP and ab initio MP2, CCSD, and CCSD(T) levels have been performed on various binary fluorides of platinum up to formal oxidation state +VIII, to evaluate the stability of these species. The calculations indicate clearly that elimination of F2 from PtF8 is a strongly exothermic reaction, with a moderate activation barrier. An exothermic decay is also observed for the homolytic bond breaking. Furthermore, our investigations suggest that both decomposition channels of PtF7 are exothermic. The existence of platinum fluorides higher than PtF6 is therefore highly unlikely.
  • Keywords
    Platinum fluorides , High oxidation states , transition states , thermochemistry , electron affinity , Coupled-cluster calculations , Density functional theory
  • Journal title
    Journal of Fluorine Chemistry
  • Serial Year
    2007
  • Journal title
    Journal of Fluorine Chemistry
  • Record number

    1609774