Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

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Abstract
Dynamical response of water exposed to x-rays is of utmost importance in a wealth of science areas. We exposed isolated water isotopologues to short x-ray pulses from a free-electron laser and detected momenta of all produced ions in coincidence. By combining experimental results and theoretical modeling, we identify significant structural dynamics with characteristic isotope effects in H2O2+, D2O2+, and HDO2+, such as asymmetric bond elongation and bond-angle opening, leading to two-body or three-body fragmentation on a timescale of a few femtoseconds. A method to disentangle the sequences of events taking place upon the consecutive absorption of two x-ray photons is described. The obtained deep look into structural properties and dynamics of dissociating water isotopologues provides essential insights into the underlying mechanisms.
Funding Information
  • CNRS GotoXFEL
  • Deutsche Forschungsgemeinschaft (EXC-2056)
  • Deutsche Forschungsgemeinschaft (SFB 925)
  • Bundesministerium für Forschung, Technologie und Raumfahrt (13K22CHA)
  • US DOE Office of Science Basic Energy (DE. AC02-05CH11231)
  • Horizon 2020 Framework Programme (860553)
  • MaxWater MPG
  • Deutsche Forschungsgemeinschaft (Research Training Group DynCAM (RTG 2717) grant 429805582 (project SA 3470/4-1).)
  • DOE Office of Science Basic Energy Science (DE-SC0019451)
  • Vetenskapsrådet
  • Knut och Alice Wallenbergs Stiftelse

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