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Keywords:

  • cobalt;
  • density functional calculations;
  • ionization potentials;
  • sandwich complexes;
  • vibrational spectroscopy
Thumbnail image of graphical abstract

Playing it cool: The mass-analyzed threshold ionization (MATI) spectrum of jet-cooled cobaltocene shows a surprisingly rich vibronic structure which provides high-resolution adiabatic (Iad.) and vertical (Ivert.) ionization energies of the neutral molecule, as well as vibrational frequencies of the gas-phase cation. The spectrum is indicative of both Jahn–Teller (JT) and pseudo-Jahn–Teller (PJT) activity in the 19-electron [Cp2Co] sandwich complex.