SEARCH

SEARCH BY CITATION

Keywords:

  • ab initio calculations;
  • excited states;
  • organometallic compounds;
  • photoelectron spectroscopy;
  • Zeise’s anion
Thumbnail image of graphical abstract

Shining light on Zeise: In a study of Zeise's anion, [PtCl3(C2H4)], and its bromine and iodine analogues, electronic structure information for each species, derived from spectral features, is assigned through calculations at the coupled cluster level of theory. The calculations indicate that the electron binding energies decrease with halogen size and that there is a synergistic η2 interaction between C2H4 and the PtX3 anions.