@article{JayNorellEckertetal.2018,
  author    = {Jay, Raphael M. and Norell, Jesper and Eckert, Sebastian Oliver and Hantschmann, Markus and Beye, Martin and Kennedy, Brian and Quevedo, Wilson and Schlotter, William F. and Dakovski, Georgi L. and Minitti, Michael P. and Hoffmann, Matthias C. and Mitra, Ankush and Moeller, Stefan P. and Nordlund, Dennis and Zhang, Wenkai and Liang, Huiyang W. and Kunnus, Kristian and Kubicek, Katharina and Techert, Simone A. and Lundberg, Marcus and Wernet, Philippe and Gaffney, Kelly and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering},
  series = {The journal of physical chemistry letters},
  volume    = {9},
  journal   = {The journal of physical chemistry letters},
  number    = {12},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.8b01429},
  pages     = {3538 -- 3543},
  year      = {2018},
  abstract  = {Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal-ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. pi-Back-donation is found to be mainly determined by the metal site occupation, whereas the ligand hole instead influences sigma-donation. Our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.},
  language  = {en}
}
@article{BeyeOebergXinetal.2016,
  author    = {Beye, Martin and {\"O}berg, Henrik and Xin, Hongliang and Dakovski, Georgi L. and F{\"o}hlisch, Alexander and Gladh, Jorgen and Hantschmann, Markus and Hieke, Florian and Kaya, Sarp and K{\"u}hn, Danilo and LaRue, Jerry and Mercurio, Giuseppe and Minitti, Michael P. and Mitra, Ankush and Moeller, Stefan P. and Ng, May Ling and Nilsson, Anders and Nordlund, Dennis and Norskov, Jens and {\"O}str{\"o}m, Henrik and Ogasawara, Hirohito and Persson, Mats and Schlotter, William F. and Sellberg, Jonas A. and Wolf, Martin and Abild-Pedersen, Frank and Pettersson, Lars G. M. and Wurth, Wilfried},
  title     = {Chemical Bond Activation Observed with an X-ray Laser},
  series = {The journal of physical chemistry letters},
  volume    = {7},
  journal   = {The journal of physical chemistry letters},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.6b01543},
  pages     = {3647 -- 3651},
  year      = {2016},
  abstract  = {The concept of bonding and antibonding orbitals is fundamental in chemistry. The population of those orbitals and the energetic difference between the two reflect the strength of the bonding interaction. Weakening the bond is expected to reduce this energetic splitting, but the transient character of bond-activation has so far prohibited direct experimental access. Here we apply time-resolved soft X-ray spectroscopy at a free electron laser to directly observe the decreased bonding antibonding splitting following bond-activation using an ultrashort optical laser pulse.},
  language  = {en}
}
@article{SchreckBeyeSellbergetal.2014,
  author    = {Schreck, Simon and Beye, Martin and Sellberg, Jonas A. and McQueen, Trevor and Laksmono, Hartawan and Kennedy, Brian and Eckert, Sebastian Oliver and Schlesinger, Daniel and Nordlund, Dennis and Ogasawara, Hirohito and Sierra, Raymond G. and Segtnan, Vegard H. and Kubicek, Katharina and Schlotter, William F. and Dakovski, Georgi L. and Moeller, Stefan P. and Bergmann, Uwe and Techert, Simone and Pettersson, Lars G. M. and Wernet, Philippe and Bogan, Michael J. and Harada, Yoshihisa and Nilsson, Anders and F{\"o}hlisch, Alexander},
  title     = {Reabsorption of soft x-ray emission at high x-ray free-electron laserfluences},
  series = {Physical review letters},
  volume    = {113},
  journal   = {Physical review letters},
  number    = {15},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {0031-9007},
  doi       = {10.1103/PhysRevLett.113.153002},
  pages     = {6},
  year      = {2014},
  abstract  = {We report on oxygen K-edge soft x-ray emission spectroscopy from a liquid water jet at the Linac Coherent Light Source. We observe significant changes in the spectral content when tuning over a wide range of incident x-ray fluences. In addition the total emission yield decreases at high fluences. These modifications result from reabsorption of x-ray emission by valence-excited molecules generated by the Auger cascade. Our observations have major implications for future x-ray emission studies at intense x-ray sources. We highlight the importance of the x-ray pulse length with respect to the core-hole lifetime.},
  language  = {en}
}
@misc{EckertNorellMiedemaetal.2017,
  author    = {Eckert, Sebastian Oliver and Norell, Jesper and Miedema, Piter S. and Beye, Martin and Fondell, Mattis and Quevedo, Wilson and Kennedy, Brian and Hantschmann, Markus and Pietzsch, Annette and van Kuiken, Benjamin E. and Ross, Matthew and Minitti, Michael P. and Moeller, Stefan P. and Schlotter, William F. and Khalil, Munira and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {1115},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43687},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436873},
  pages     = {7},
  year      = {2017},
  abstract  = {The femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort time-scale.},
  language  = {en}
}
@misc{EckertNorellMiedemaetal.2017,
  author    = {Eckert, Sebastian Oliver and Norell, Jesper and Miedema, Piter S. and Beye, Martin and Fondell, Mattis and Quevedo, Wilson and Kennedy, Brian and Hantschmann, Markus and Pietzsch, Annette and van Kuiken, Benjamin E. and Ross, Matthew and Minitti, Michael P. and Moeller, Stefan P. and Schlotter, William F. and Khalil, Munira and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Untersuchung unabh{\"a}ngiger N-H- und N-C-Bindungsverformungen auf ultrakurzen Zeitskalen mit resonanter inelastischer R{\"o}ntgenstreuung},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {1121},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43668},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-436688},
  pages     = {7},
  year      = {2017},
  abstract  = {Die Femtosekundendynamik nach resonanten Photoanregungen mit optischen und R{\"o}ntgenpulsen erm{\"o}glicht eine selektive Verformung von chemischen N-H- und N-C-Bindungen in 2-Thiopyridon in w{\"a}ssriger L{\"o}sung. Die Untersuchung der orbitalspezifischen elektronischen Struktur und ihrer Dynamik auf ultrakurzen Zeitskalen mit resonanter inelastischer R{\"o}ntgenstreuung an der N1s-Resonanz am Synchrotron und dem Freie-Elektronen-Laser LCLS in Kombination mit quantenchemischen Multikonfigurationsberechnungen erbringen den direkten Nachweis dieser kontrollierten photoinduzierten Molek{\"u}lverformungen und ihrer ultrakurzen Zeitskala.},
  language  = {de}
}
@article{EckertBeyePietzschetal.2015,
  author    = {Eckert, Sebastian Oliver and Beye, Martin and Pietzsch, Annette and Quevedo, Wilson and Hantschmann, Markus and Ochmann, Miguel and Ross, Matthew and Minitti, Michael P. and Turner, Joshua J. and Moeller, Stefan P. and Schlotter, William F. and Dakovski, Georgi L. and Khalil, Munira and Huse, Nils and F{\"o}hlisch, Alexander},
  title     = {Principles of femtosecond X-ray/optical cross-correlation with X-ray induced transient optical reflectivity in solids},
  series = {Applied physics letters},
  volume    = {106},
  journal   = {Applied physics letters},
  number    = {6},
  publisher = {American Institute of Physics},
  address   = {Melville},
  issn      = {0003-6951},
  doi       = {10.1063/1.4907949},
  pages     = {4},
  year      = {2015},
  abstract  = {The discovery of ultrafast X-ray induced optical reflectivity changes enabled the development of X-ray/optical cross correlation techniques at X-ray free electron lasers worldwide. We have now linked through experiment and theory the fundamental excitation and relaxation steps with the transient optical properties in finite solid samples. Therefore, we gain a thorough interpretation and an optimized detection scheme of X-ray induced changes to the refractive index and the X-ray/optical cross correlation response. (C) 2015 AIP Publishing LLC.},
  language  = {en}
}
@article{EckertNorellMiedemaetal.2017,
  author    = {Eckert, Sebastian Oliver and Norell, Jesper and Miedema, Piter S. and Beye, Martin and Fondell, Mattis and Quevedo, Wilson and Kennedy, Brian and Hantschmann, Markus and Pietzsch, Annette and van Kuiken, Benjamin and Ross, Matthew and Minitti, Michael P. and Moeller, Stefan P. and Schlotter, William F. and Khalil, Munira and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Untersuchung unabh{\"a}ngiger N-H- und N-C-Bindungsverformungen auf ultrakurzen Zeitskalen mit resonanter inelastischer R{\"o}ntgenstreuung},
  series = {Angewandte Chemie},
  volume    = {129},
  journal   = {Angewandte Chemie},
  number    = {22},
  issn      = {1521-3757},
  doi       = {10.1002/ange.201700239},
  pages     = {6184 -- 6188},
  year      = {2017},
  abstract  = {Die Femtosekundendynamik nach resonanten Photoanregungen mit optischen und R{\"o}ntgenpulsen erm{\"o}glicht eine selektive Verformung von chemischen N-H- und N-C-Bindungen in 2-Thiopyridon in w{\"a}ssriger L{\"o}sung. Die Untersuchung der orbitalspezifischen elektronischen Struktur und ihrer Dynamik auf ultrakurzen Zeitskalen mit resonanter inelastischer R{\"o}ntgenstreuung an der N1s-Resonanz am Synchrotron und dem Freie-Elektronen-Laser LCLS in Kombination mit quantenchemischen Multikonfigurationsberechnungen erbringen den direkten Nachweis dieser kontrollierten photoinduzierten Molek{\"u}lverformungen und ihrer ultrakurzen Zeitskala.},
  language  = {de}
}
@article{EckertNorellMiedemaetal.2017,
  author    = {Eckert, Sebastian Oliver and Norell, Jesper and Miedema, Piter S. and Beye, Martin and Fondell, Mattis and Quevedo, Wilson and Kennedy, Brian and Hantschmann, Markus and Pietzsch, Annette and Van Kuiken, Benjamin E. and Ross, Matthew and Minitti, Michael P. and Moeller, Stefan P. and Schlotter, William F. and Khalil, Munira and Odelius, Michael and F{\"o}hlisch, Alexander},
  title     = {Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering},
  series = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition},
  volume    = {56},
  journal   = {Angewandte Chemie : a journal of the Gesellschaft Deutscher Chemiker ; International edition},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1433-7851},
  doi       = {10.1002/anie.201700239},
  pages     = {6088 -- 6092},
  year      = {2017},
  abstract  = {The femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort time-scale.},
  language  = {en}
}