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@ARTICLE{Haldrup:297390,
      author       = {Haldrup, Kristoffer and Gawelda, Wojciech and Abela, Rafael
                      and Alonso-Mori, Roberto and Bergmann, Uwe and Bordage,
                      Amélie and Cammarata, Marco and Canton, Sophie and Dohn,
                      Asmus Ougaard and van Driel, Tim Brandt and Fritz, David M.
                      and Galler, Andreas and Glatzel, Pieter and Harlang, Tobias
                      and Kjær, Kasper S. and Lemke, Henrik T. and Møller, Klaus
                      B. and Németh, Zoltán and Pápai, Mátyás and Sas,
                      Norbert and Uhlig, Jens and Zhu, Diling and Vankó, György
                      and Sundström, Villy and Nielsen, Martin M. and Bressler,
                      Christian},
      title        = {{O}bserving {S}olvation {D}ynamics with {S}imultaneous
                      {F}emtosecond {X}-ray {E}mission {S}pectroscopy and {X}-ray
                      {S}cattering},
      journal      = {The journal of physical chemistry / B},
      volume       = {120},
      number       = {6},
      issn         = {1520-5207},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2016-01853},
      pages        = {1158 - 1168},
      year         = {2016},
      abstract     = {In liquid phase chemistry dynamic solute–solvent
                      interactions often govern the path, ultimate outcome, and
                      efficiency of chemical reactions. These steps involve
                      many-body movements on subpicosecond time scales and thus
                      ultrafast structural tools capable of capturing both
                      intramolecular electronic and structural changes, and local
                      solvent structural changes are desired. We have studied the
                      intra- and intermolecular dynamics of a model chromophore,
                      aqueous $[Fe(bpy)_{3}]^{2+}$, with complementary X-ray tools
                      in a single experiment exploiting intense XFEL radiation as
                      a probe. We monitored the ultrafast structural rearrangement
                      of the solute with X-ray emission spectroscopy, thus
                      establishing time zero for the ensuing X-ray diffuse
                      scattering analysis. The simultaneously recorded X-ray
                      diffuse scattering patterns reveal slower subpicosecond
                      dynamics triggered by the intramolecular structural dynamics
                      of the photoexcited solute. By simultaneous combination of
                      both methods only, we can extract new information about the
                      solvation dynamic processes unfolding during the first
                      picosecond (ps). The measured bulk solvent density increase
                      of 0.2\% indicates a dramatic change of the solvation shell
                      around each photoexcited solute, confirming previous ab
                      initio molecular dynamics simulations. Structural changes in
                      the aqueous solvent associated with density and temperature
                      changes occur with ∼1 ps time constants, characteristic
                      for structural dynamics in water. This slower time scale of
                      the solvent response allows us to directly observe the
                      structure of the excited solute molecules well before the
                      solvent contributions become dominant.},
      cin          = {Eur.XFEL / FS-SCS},
      ddc          = {530},
      cid          = {$I:(DE-H253)Eur_XFEL-20120731$ /
                      I:(DE-H253)FS-SCS-20131031},
      pnm          = {6215 - Soft Matter, Health and Life Sciences (POF3-621) /
                      6G13 - XFEL (POF3-622)},
      pid          = {G:(DE-HGF)POF3-6215 / G:(DE-HGF)POF3-6G13},
      experiment   = {EXP:(DE-H253)XFEL-FXE-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000370678500013},
      pubmed       = {pmid:26783685},
      doi          = {10.1021/acs.jpcb.5b12471},
      url          = {https://bib-pubdb1.desy.de/record/297390},
}