Electronic Structures of Copper(I) and Silver(I) -Diketonate Complexes
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- 作者：Xiaorong Li ; G. Michael Bancroft ; Richard J. Puddephatt ; Zheng Yuan ; and K. H. Tan
- 刊名：Inorganic Chemistry
- 出版年：1996
- 出版时间：August 14, 1996
- 年：1996
- 卷：35
- 期：17
- 页码：5040 - 5049
- 全文大小：599K
- 年卷期：v.35,no.17(August 14, 1996)
- ISSN：1520-510X
文摘
The valence electronic structures of [Cu(hfac)L] (hfac =CF3C(O)CHC(O)CF3; L =PMe3, CNMe), [Ag(hfac)(PMe3)], and [Ag(fod)(PEt3)] (fod=t-BuC(O)CHC(O)C3F7)have been studied by recording their photoelectronspectra and by performing X
-SW calculations on the model compounds[M(dfm)(PH3)] (dfm =HC(O)CHC(O)H; M = Cu, Ag) and [Cu(dfm)(CNH)]. For the coppercomplexes, the spectra were recorded between 21 and160 eV using He I, He II and synchrotron radiation; while, for thesilver complexes, He I and He II, spectra wererecorded. Assignments were made by comparison of experimental andcalculated values of band energies, and,for the copper complexes, by similar comparison of experimental andtheoretical branching ratios as a functionof photon energy. For the silver complexes, a more limitedcomparison of band intensities in the He I and HeII spectra was made. In analogous compounds, it is shown that thebinding energies follow the sequence Ag 4d> Cu 3d, with an energy difference of almost 2 eV.
-SW calculations on the model compounds[M(dfm)(PH3)] (dfm =HC(O)CHC(O)H; M = Cu, Ag) and [Cu(dfm)(CNH)]. For the coppercomplexes, the spectra were recorded between 21 and160 eV using He I, He II and synchrotron radiation; while, for thesilver complexes, He I and He II, spectra wererecorded. Assignments were made by comparison of experimental andcalculated values of band energies, and,for the copper complexes, by similar comparison of experimental andtheoretical branching ratios as a functionof photon energy. For the silver complexes, a more limitedcomparison of band intensities in the He I and HeII spectra was made. In analogous compounds, it is shown that thebinding energies follow the sequence Ag 4d> Cu 3d, with an energy difference of almost 2 eV.