Electronic structure of KrF2, studied by photoelectron spectroscopy
The high-resolution HeI and HeII photoelectron spectra of KrF2 have been obtained, and ionization potentials up to 30 eV measured. The results are used to assign the molecular orbital electronic structure of this molecule. The first i.p. consists of a spin-orbit doublet, 2Pi;; 2Pi;; at 13.34 eV, 13.47 eV, (vertical), which relates to the removal of an electron from the highest filled orbital, 4πu. This is not in agreement with a recent M.O. calculation, which places 8σg highest. A comparison with recent photoionization mass spectrometric results is made.