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@INPROCEEDINGS{Kierspel:393563,
      author       = {Kierspel, Thomas and Wiese, Joss and Di Fraia, Michele and
                      Boll, Rebecca and Erk, Benjamin and Bomme, Cédric and
                      Rolles, Daniel and Savelyev, Evgeny and Viefhaus, Jens and
                      Trippel, Sebastian and Küpper, Jochen},
      title        = {{X}-ray photofragmentation study of gas-phase indole and
                      indole-water cluster},
      reportid     = {PUBDB-2017-11555},
      pages        = {1},
      year         = {2017},
      abstract     = {The properties of atoms and molecules are strongly
                      dependent on their environment and hydrogen bonds are of
                      universal importance in chemistry and biochemistry.
                      Therefore, it is highly desirable to bridge the gap between
                      single, isolated molecules and molecules in solvation.Here,
                      we present results on the photofragmentation of indole, the
                      chromophore of the amino acid tryptophan, and indole-water1
                      clusters, i.e., indole ‘solvated’ by a single water
                      molecule. The indole-water1 clusters were spatially
                      separated from monomeric indole using the electric deflector
                      [1,2]. The photofragmentation was induced by side specific
                      1s core hole ionization of the indole’s nitrogen or carbon
                      atom leading to a relaxation of the highly excited molecules
                      and clusters via an emission of electrons and/or photons and
                      subsequent Coulomb explosion. Photo and Auger electrons as
                      well as ionic fragments were recorded in coincidence with a
                      double-sided velocity map imaging (VMI) spectrometer. The
                      photofragmentation of indole and indole-water was compared
                      by means of (photoelectron-) photoion-photoion coincidence
                      (PIPICO, Fig. 1) maps, i.e., only channels where at least
                      two ionic fragments could be detected have been compared.
                      Charge, proton or hydrogen transfer to the hydrogen bonded
                      water molecule, as well as different Coulomb explosion
                      channels, due to further emission of electrons on the
                      indole-side of the cluster, were observed. The results will
                      be discussed based on the fragmentation channels of the
                      different species, photoelectron and ion VMI images for
                      different ionic fragments, and the 3D reconstruction of the
                      molecule's orientation.Additionally, we present first
                      results the photophysics following core hole ionization from
                      the oxygen 1s of the hydrogen bonded water. Moreover, we
                      discuss prospects for future time-resolved experiments
                      utilizing UV pump–XFEL probe schemes to unravel the energy
                      flow in UV-excited tryptophan and corresponding peptides.
                      The indole-water experiment was carried out in a
                      collaboration with DESY and Kansas State University. The
                      experiment was conducted at the Variable Polarization XUV
                      Beamline P04 of PETRA III at DESY.References[1] S. Trippel,
                      Y-P. Chang, S. Stern, T. Mullins, L. Holmegaard, J. Küpper,
                      "Spatial separation of state- and size-selected neutral
                      clusters", Phys. Rev. A. 86, 033202 (2012)[2] Y-P. Chang, D.
                      Horke, S. Trippel, J. Küpper, "Spatially-controlled complex
                      molecules and their applications", Int. Rev. Phys. Chem.
                      34(4), 557-590 (2015)},
      month         = {Jun},
      date          = {2017-06-25},
      organization  = {CLEO/Europe-EQEC 2017, München
                       (Germany), 25 Jun 2017 - 30 Jun 2017},
      cin          = {FS-CFEL-1 / FS-CFEL-CMI / UNI/CUI / UNI/EXP},
      cid          = {I:(DE-H253)FS-CFEL-1-20120731 /
                      I:(DE-H253)FS-CFEL-CMI-20220405 /
                      $I:(DE-H253)UNI_CUI-20121230$ /
                      $I:(DE-H253)UNI_EXP-20120731$},
      pnm          = {6211 - Extreme States of Matter: From Cold Ions to Hot
                      Plasmas (POF3-621) / CUI - Hamburger Zentrum für
                      ultraschnelle Beobachtung (194651731) / VH-VI-419 - Dynamic
                      Pathways in Multidimensional Landscapes (VH-VI-419)},
      pid          = {G:(DE-HGF)POF3-6211 / G:(GEPRIS)194651731 /
                      G:(DE-HGF)VH-VI-419},
      experiment   = {EXP:(DE-H253)P-P04-20150101},
      typ          = {PUB:(DE-HGF)8},
      doi          = {10.3204/PUBDB-2017-11555},
      url          = {https://bib-pubdb1.desy.de/record/393563},
}