Electronic structure of some copper(II) and iron(III) β-diketonates

Photoelectron Spectroscopy of Bis(2,4-Pentanedione)−Oxovanadium(IV) [VO(acac)2] and Derivatives: Substituent Effects on the 2,4-Pentanedione Donor

“…Our spectrum of VO(acac) 2 is in general agreement with the previous report, 17 though our measured ionization energies differ slightly due to the use of symmetric Gaussians in the previous report, and by the improved resolution and precision of our experiment. The ionization assignments are consistent with reports for the free ligands, 31 and for other metal-acac analogues, [18][19][20]32,33 and can also be compared to the results from ab initio and density functional molecular orbital calculations (vide infra).…”

Valence electronic structure of sublimated Fe4single-molecule magnets: an experimental and theoretical characterization

“…Indeed, UPS is well known to be a powerful tool in probing the electronic structure of metallo-organic compounds. [16][17][18][19][20][21] For instance, the high volatility of many b-diketonato metal complexes has promoted exhaustive gas-phase UPS studies, which has allowed to investigate the dependence of the electronic structure on the central metal atom and ligand substituents. [19][20][21] UPS investigations of polynuclear systems, where several metal ions are held together by different ligands, are considerably more limited.…”

“…[16][17][18][19][20][21] For instance, the high volatility of many b-diketonato metal complexes has promoted exhaustive gas-phase UPS studies, which has allowed to investigate the dependence of the electronic structure on the central metal atom and ligand substituents. [19][20][21] UPS investigations of polynuclear systems, where several metal ions are held together by different ligands, are considerably more limited. Obviously, the higher the degree of complexity is, the lower the volatility of the cluster would be, and thus, the lower is the possibility to get highly resolved UPS spectra.…”

“…These clusters possess a propeller-like molecular structure, in which two tripodal ligands (L 3À ¼ Ph-C(CH 2 O) 3 3À ) connect the central iron ion to the three peripheral ones through double bridging alkoxide oxygen atoms. [16][17][18][19][20][21] For instance, the high volatility of many b-diketonato metal complexes has promoted exhaustive gas-phase UPS studies, which has allowed to investigate the dependence of the electronic structure on the central metal atom and ligand substituents. Within the Fe 4 family, these two clusters are the only ones that have been successfully sublimated in ultra-high vacuum (UHV) conditions, 13,15 preserving unaltered their magnetic properties.…”