title: dd excitations in CPO-27-Ni metal-organic framework: comparison between resonant inelastic X-ray scattering and UV-vis spectroscopy.
abstract: We identify the dd excitations in the metal-organic framework CPO-27-Ni by coupling resonant inelastic X-ray scattering (RIXS) and UV-vis spectroscopy, and we show that the element selectivity of RIXS is crucial to observing the full dd multiplet structure, which is not visible in UV-vis. The combination of calculations using crystal-field multiplet theory and density functional theory can reproduce the RIXS spectral features, crucially improving interpretation of the experimental data. We obtain the crystal-field splitting and magnitude of the electron-electron interactions and correct previously reported values. RIXS instruments at synchrotron radiation sources are accessible to all researchers, and the technique can be applied to a broad range of systems.
authors.affiliation: European Synchrotron Radiation Facility (ESRF), 6 rue Jules Horowitz, BP 220, 38043 Grenoble Cedex 9, France.
authors.forename: Erik
authors.initials: E
authors.lastname: Gallo
authors.forename: Carlo
authors.initials: C
authors.lastname: Lamberti
authors.forename: Pieter
authors.initials: P
authors.lastname: Glatzel
mesh_terms: D009532:Nickel / Q000737:chemistry*; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D011789:Quantum Theory; D013056:Spectrophotometry, Ultraviolet; D014961:X-Ray Diffraction
chemical_list: D009942:Organometallic Compounds; D009532:Nickel