Structural Dynamics (Sep 2023)
Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser
- R. Guillemin,
- L. Inhester,
- M. Ilchen,
- T. Mazza,
- R. Boll,
- Th. Weber,
- S. Eckart,
- P. Grychtol,
- N. Rennhack,
- T. Marchenko,
- N. Velasquez,
- O. Travnikova,
- I. Ismail,
- J. Niskanen,
- E. Kukk,
- F. Trinter,
- M. Gisselbrecht,
- R. Feifel,
- G. Sansone,
- D. Rolles,
- M. Martins,
- M. Meyer,
- M. Simon,
- R. Santra,
- T. Pfeifer,
- T. Jahnke,
- M. N. Piancastelli
Affiliations
- R. Guillemin
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- L. Inhester
- Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany
- M. Ilchen
- European XFEL, 22869 Schenefeld, Germany
- T. Mazza
- European XFEL, 22869 Schenefeld, Germany
- R. Boll
- European XFEL, 22869 Schenefeld, Germany
- Th. Weber
- Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720, USA
- S. Eckart
- Institut für Kernphysik, Goethe-Universität, 60438 Frankfurt am Main, Germany
- P. Grychtol
- European XFEL, 22869 Schenefeld, Germany
- N. Rennhack
- European XFEL, 22869 Schenefeld, Germany
- T. Marchenko
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- N. Velasquez
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- O. Travnikova
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- I. Ismail
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- J. Niskanen
- Department of Physics and Astronomy, University of Turku, 20014 Turku, Finland
- E. Kukk
- Department of Physics and Astronomy, University of Turku, 20014 Turku, Finland
- F. Trinter
- Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany
- M. Gisselbrecht
- Department of Physics, Lund University, 22100 Lund, Sweden
- R. Feifel
- Department of Physics, University of Gothenburg, 412 96 Gothenburg, Sweden
- G. Sansone
- Physikalisches Institut, Universität Freiburg, 79104 Freiburg, Germany
- D. Rolles
- J. R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, Kansas 66506, USA
- M. Martins
- Institut für Experimentalphysik, Universität Hamburg, 22761 Hamburg, Germany
- M. Meyer
- European XFEL, 22869 Schenefeld, Germany
- M. Simon
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- R. Santra
- Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany
- T. Pfeifer
- Max-Planck-Institut für Kernphysik, 69117 Heidelberg, Germany
- T. Jahnke
- Max-Planck-Institut für Kernphysik, 69117 Heidelberg, Germany
- M. N. Piancastelli
- Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, 75005 Paris, France
- DOI
- https://doi.org/10.1063/4.0000197
- Journal volume & issue
-
Vol. 10,
no. 5
pp. 054302 – 054302-15
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.
