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Keywords:

  • density functional calculations;
  • EPR spectroscopy;
  • metalloradicals;
  • mixed-valent dimers;
  • redox chemistry
Thumbnail image of graphical abstract

No support required: Unlike the unobservable radical cations [{CpM(CO)3}2].+ (M=W, Mo), derivatives [{CpM(CO)2(PMe3)}2].+ are stable enough to be isolated and characterized. Experimental and theoretical studies show that the shortened M[BOND]M bonds are of order 1 1/2, and that they are not supported by bridging ligands. The unpaired electron is delocalized over the M[BOND]M cores, with a spin density of about 45 % on each metal atom.