@article{KoenneckeFollathPontiusetal.2013,
  author    = {K{\"o}nnecke, Rene and Follath, R. and Pontius, N. and Schlappa, J. and Eggenstein, F. and Zeschke, T. and Bischoff, P. and Schmidt, J. -S. and Noll, T. and Trabant, C. and Schreck, S. and Wernet, Ph. and Eisebitt, S. and Senf, F. and Schuessler-Langeheine, Christian and Erko, A. and F{\"o}hlisch, Alexander},
  title     = {The confocal plane grating spectrometer at BESSY II},
  series = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  volume    = {188},
  journal   = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0368-2048},
  doi       = {10.1016/j.elspec.2012.11.003},
  pages     = {133 -- 139},
  year      = {2013},
  abstract  = {At BESSY II a confocal plane grating spectrometer for resonant inelastic X-ray scattering (RIXS) is currently under commissioning. The new endstation operates with a source size of 4 x 1 mu m(2) provided by its dedicated beamline. The RIXS-spectrometer covers an energy range from 50 eV to 1000 eV, providing a resolving power E/Delta E of 5000-15,000. The beamline allows full polarization control and gives a photon flux of up to 7 x 10(14) photons/s/0.1 A/0.1\%bandwidth by offering a resolving power E/Delta E of 4000-12,000.},
  language  = {en}
}
@article{BeyeWernetSchuesslerLangeheineetal.2013,
  author    = {Beye, Martin and Wernet, Ph. and Sch{\"u}ßler-Langeheine, Christian and F{\"o}hlisch, Alexander},
  title     = {Time resolved resonant inelastic X-ray scattering: a supreme tool to understand dynamics in solids and molecules},
  series = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  volume    = {188},
  journal   = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  number    = {3},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0368-2048},
  doi       = {10.1016/j.elspec.2013.04.013},
  pages     = {172 -- 182},
  year      = {2013},
  abstract  = {Dynamics in materials typically involve different degrees of freedom, like charge, lattice, orbital and spin in a complex interplay. Time-resolved resonant inelastic X-ray scattering (RIXS) as a highly selective tool can provide unique insight and follow the details of dynamical processes while resolving symmetries, chemical and charge states, momenta, spin configurations, etc. In this paper, we review examples where the intrinsic scattering duration time is used to study femtosecond phenomena. Free-electron lasers access timescales starting in the sub-ps range through pump-probe methods and synchrotrons study the time scales longer than tens of ps. In these examples, time-resolved resonant inelastic X-ray scattering is applied to solids as well as molecular systems.},
  language  = {en}
}
@article{KunnusJosefssonRajkovicetal.2016,
  author    = {Kunnus, Kristjan and Josefsson, I. and Rajkovic, Ivan and Schreck, Simon and Quevedo, Wilson and Beye, Martin and Weniger, C. and Gruebel, S. and Scholz, M. and Nordlund, D. and Zhang, W. and Hartsock, R. W. and Gaffney, K. J. and Schlotter, W. F. and Turner, J. J. and Kennedy, B. and Hennies, F. and de Groot, F. M. F. and Techert, S. and Odelius, Michael and Wernet, Ph. and F{\"o}hlisch, Alexander},
  title     = {Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)(5) to Fe(CO)(4)EtOH},
  series = {Structural dynamics},
  volume    = {3},
  journal   = {Structural dynamics},
  publisher = {American Institute of Physics},
  address   = {Washington},
  issn      = {2329-7778},
  doi       = {10.1063/1.4941602},
  pages     = {16},
  year      = {2016},
  abstract  = {We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)(5) in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)(4) which are observed following a charge transfer photoexcitation of Fe(CO)(5) as reported in our previous study [ Wernet et al., Nature 520, 78 (2015)]. We find that branching of the reaction pathway likely happens in the (1)A(1) state of Fe(CO)(4). A sub-picosecond time constant of the spin crossover from B-1(2) to B-3(2) is rationalized by the proposed B-1(2) -> (1)A(1) -> B-3(2) mechanism. Ultrafast ligation of the B-1(2) Fe(CO)(4) state is significantly faster than the spin-forbidden and diffusion limited ligation process occurring from the B-3(2) Fe(CO)(4) ground state that has been observed in the previous studies. We propose that the ultrafast ligation occurs via B-1(2) -> (1)A(1) -> (1)A'Fe(CO)(4)EtOH pathway and the time scale of the (1)A(1) Fe(CO)(4) state ligation is governed by the solute-solvent collision frequency. Our study emphasizes the importance of understanding the interaction of molecular excited states with the surrounding environment to explain the relaxation pathways of photoexcited metal carbonyls in solution. (C) 2016 Author(s).},
  language  = {en}
}
@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}
}