Electronic structure of bis(cyclopentadienyl) lanthanide compounds: photoelectron spectra and molecular orbital calculations
Abstract
Gas phase He-I and He-II photoelectron (p.e.) spectra have been obtained for Ln(η-C5Me5)2, where Ln = Sm, Eu, Yb, and bands associated with ionization of f-electrons are identified for the Sm and Yb compounds; ionization energies calculated from quasi-relativistic Xα-SW calculations are in good agreement with the experimental values showing the compounds to be highly ionic in nature, but providing no orbital reason for the established non-parallel geometry of the rings.