title: Electronic Structures of Copper(I) and Silver(I) beta-Diketonate Complexes.
abstract: The valence electronic structures of [Cu(hfac)L] (hfac = CF(3)C(O)CHC(O)CF(3); L = PMe(3), CNMe), [Ag(hfac)(PMe(3))], and [Ag(fod)(PEt(3))] (fod = t-BuC(O)CHC(O)C(3)F(7)) have been studied by recording their photoelectron spectra and by performing Xalpha-SW calculations on the model compounds [M(dfm)(PH(3))] (dfm = HC(O)CHC(O)H; M = Cu, Ag) and [Cu(dfm)(CNH)]. For the copper complexes, the spectra were recorded between 21 and 160 eV using He I, He II and synchrotron radiation; while, for the silver complexes, He I and He II, spectra were recorded. Assignments were made by comparison of experimental and calculated values of band energies, and, for the copper complexes, by similar comparison of experimental and theoretical branching ratios as a function of photon energy. For the silver complexes, a more limited comparison of band intensities in the He I and He II spectra was made. In analogous compounds, it is shown that the binding energies follow the sequence Ag 4d > Cu 3d, with an energy difference of almost 2 eV.
authors.affiliation: Department of Chemistry, University of Western Ontario, London, Canada N6A 5B7, and Canadian Synchrotron Radiation Facility, Synchrotron Radiation Centre, University of Wisconsin-Madison, Stoughton, Wisconsin 53589.
authors.forename: Xiaorong
authors.initials: X
authors.lastname: Li
authors.forename: G. Michael
authors.initials: GM
authors.lastname: Bancroft
authors.forename: Richard J.
authors.initials: RJ
authors.lastname: Puddephatt
authors.forename: Zheng
authors.initials: Z
authors.lastname: Yuan
authors.forename: K. H.
authors.initials: KH
authors.lastname: Tan