Photoelectron spectroscopy of metal β-diketonato complexes

The electronic structures of yttrium(III), gadolinium(III) and ytterbium(III) tris-2,2,6,6-tetramethyl-3,5-heptanedione (tmhd) complexes have been investigated by HeI and HeII photoelectron spectroscopy (UPS), UDFT and OVGF calculations. We discuss metal–ligand bonding in the series of metal β-diketonato complexes on the basis of empirical arguments. The photoionization cross-sections and orbital energies of metal atoms must both be taken into account in order to rationalize changes in relative band intensities of the HeI/HeII spectra.