@article{VazdaCruzBuechnerFondelletal.2022,
  author    = {Vaz da Cruz, Vinicius and B{\"u}chner, Robby and Fondell, Mattis and Pietzsch, Annette and Eckert, Sebastian and F{\"o}hlisch, Alexander},
  title     = {Targeting individual tautomers in equilibrium by resonant inelastic X-ray scattering},
  series = {The journal of physical chemistry letters},
  volume    = {13},
  journal   = {The journal of physical chemistry letters},
  number    = {10},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.1c03453},
  pages     = {2459 -- 2466},
  year      = {2022},
  abstract  = {Tautomerism is one of the most important forms of isomerism, owing to the facile interconversion between species and the large differences in chemical properties introduced by the proton transfer connecting the tautomers. Spectroscopic techniques are often used for the characterization of tautomers. In this context, separating the overlapping spectral response of coexisting tautomers is a long-standing challenge in chemistry. Here, we demonstrate that by using resonant inelastic X-ray scattering tuned to the core excited states at the site of proton exchange between tautomers one is able to experimentally disentangle the manifold of valence excited states of each tautomer in a mixture. The technique is applied to the prototypical keto-enol equilibrium of 3-hydroxypyridine in aqueous solution. We detect transitions from the occupied orbitals into the LUMO for each tautomer in solution, which report on intrinsic and hydrogen-bond-induced orbital polarization within the pi and sigma manifolds at the proton-transfer site.},
  language  = {en}
}
@article{KunnusSchreckFoehlisch2015,
  author    = {Kunnus, Kristjan and Schreck, Simon and F{\"o}hlisch, Alexander},
  title     = {Free-electron laser based resonant inelastic X-ray scattering on molecules and liquids},
  series = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy},
  volume    = {204},
  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.2015.08.012},
  pages     = {345 -- 355},
  year      = {2015},
  abstract  = {The unprecedented beam properties of free-electron laser based X-ray sources enable novel resonant inelastic X-ray scattering (RIXS) experiments. Femtosecond time-resolved RIXS can be used to follow charge, spin and structural dynamics of dilute solute molecules in solution. Ultrashort X-ray pulses allow probing of highly radiation sensitive states of matter such as the metastable phase of supercooled liquid water. Nonlinear X-ray probes like amplified spontaneous emission and stimulated resonant X-ray scattering provide an enhanced selectivity and sensitivity as well as a path to control radiation damage and increase the photon yields in RIXS experiments. (C) 2015 Elsevier B.V. All rights reserved.},
  language  = {en}
}