THE PHOTOELECTRON-SPECTROSCOPY AND ELECTRONIC-STRUCTURE OF METAL BETA-DIKETONATES AND THEIR ANALOGS

He(I) photoelectron spectra of transition and non-transition metal bis - and tris-beta-diketonate complexes were studied. Spectra have been i nterpreted based on the study of regularities in spectra of compound r ows and results of quantum chemical calculations of ground and ionized states by X-alpha-DV and ab initio methods. In group III d-metal comp lexes, the bond covalency changes in the sequence YL3 < LuL3 < ScL3, w hereas for complexes of final elements in the transition row, the bond covalency is directly proportional to the period row. Ionization ener gy changes for O to NR group substitution, gamma-H to Cl and CH3 group , beta-CH3 groups to H, C(CH3) and C6H5, are discussed. It was shown t hat for high-spin complexes, despite the closeness of the final state energies, psi-function symmetry prohibits the interaction between stat es caused by d- and L-electrons removal. (C) 1998 Elsevier Science B.V .