@article{KunnusJosefssonSchrecketal.2017,
  author    = {Kunnus, Kristjan and Josefsson, I. and Schreck, Simon Frederik and Quevedo, W. and Miedema, P. S. and Techert, S. and de Groot, F. M. F. and F{\"o}hlisch, Alexander and Odelius, M. and Wernet, Ph.},
  title     = {Quantifying covalent interactions with resonant inelastic soft X-ray scattering},
  series = {Chemical physics letters},
  volume    = {669},
  journal   = {Chemical physics letters},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0009-2614},
  doi       = {10.1016/j.cplett.2016.12.046},
  pages     = {196 -- 201},
  year      = {2017},
  abstract  = {We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L-3-edge allows to determine that the Ni 3d orbitals have on average 5.5\% of water character. We propose that 2p3d RIXS at the Ni L-3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations.},
  language  = {en}
}
@article{WernetLeitnerJosefssonetal.2017,
  author    = {Wernet, Philippe and Leitner, T. and Josefsson, Ida and Mazza, T. and Miedema, P. S. and Schroder, H. and Beye, Martin and Kunnus, K. and Schreck, S. and Radcliffe, P. and Dusterer, S. and Meyer, M. and Odelius, Michael and Fohlisch, Alexander},
  title     = {Communication: Direct evidence for sequential dissociation of gas-phase Fe(CO)(5) via a singlet pathway upon excitation at 266 nm},
  series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  volume    = {146},
  journal   = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0021-9606},
  doi       = {10.1063/1.4984774},
  pages     = {5},
  year      = {2017},
  abstract  = {We prove the hitherto hypothesized sequential dissociation of Fe(CO)(5) in the gas phase upon photoexcitation at 266 nm via a singlet pathway with time-resolved valence and core-level photoelectron spectroscopy with an x-ray free-electron laser. Valence photoelectron spectra are used to identify free CO molecules and to determine the time constants of stepwise dissociation to Fe(CO)(4) within the temporal resolution of the experiment and further to Fe(CO)(3) within 3 ps. Fe 3p core-level photoelectron spectra directly reflect the singlet spin state of the Fe center in Fe(CO)(5), Fe(CO)(4), and Fe(CO)(3) showing that the dissociation exclusively occurs along a singlet pathway without triplet-state contribution. Our results are important for assessing intra- and intermolecular relaxation processes in the photodissociation dynamics of the prototypical Fe(CO)(5) complex in the gas phase and in solution, and they establish time-resolved core-level photoelectron spectroscopy as a powerful tool for determining the multiplicity of transition metals in photochemical reactions of coordination complexes. Published by AIP Publishing.},
  language  = {en}
}
@article{MiedemaMitznerGanschowetal.2017,
  author    = {Miedema, P. S. and Mitzner, Rolf and Ganschow, S. and F{\"o}hlisch, Alexander and Beye, Martin},
  title     = {X-ray spectroscopy on the active ion in laser crystals},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {19},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/c7cp03026f},
  pages     = {21800 -- 21806},
  year      = {2017},
  abstract  = {The active ions in typical laser crystals were studied with Resonant Inelastic X-ray Scattering (RIXS) and Partial Fluorescence Yield X-ray Absorption (PFY-XAS) spectroscopies as solid state model systems for dilute active centers. We analyzed Ti3+ and Cr3+ in alpha-Al2O3:Ti3+ and LiCaAlF6:Cr3+, respectively. The comparison of experimental data with semi-empirical multiplet calculations provides insights into the electronic structure and shows how measured crystal field energies are related across different spectroscopies.},
  language  = {en}
}