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

Guillemin, R. ; Inhester, L. ; Ilchen, M. ; Mazza, T. ; Boll, R. ; Weber, Th ; Eckart, S. ; Grychtol, P. ; Rennhack, N. and Marchenko, T. , et al. (2023) In Structural Dynamics 10(5).
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... (More)

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.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Structural Dynamics
volume
10
issue
5
article number
054302
publisher
American Institute of Physics (AIP)
external identifiers
  • scopus:85174313211
  • pmid:37799711
ISSN
2329-7778
DOI
10.1063/4.0000197
language
English
LU publication?
yes
id
b3f15390-c998-468a-ad6c-9697c355d5e0
date added to LUP
2024-01-12 08:34:44
date last changed
2024-04-27 04:02:02
@article{b3f15390-c998-468a-ad6c-9697c355d5e0,
  abstract     = {{<p>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 H<sub>2</sub>O<sup>2+</sup>, D<sub>2</sub>O<sup>2+</sup>, and HDO<sup>2+</sup>, 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.</p>}},
  author       = {{Guillemin, R. and Inhester, L. and Ilchen, M. and Mazza, T. and Boll, R. and Weber, Th and Eckart, S. and Grychtol, P. and Rennhack, N. and Marchenko, T. and Velasquez, N. and Travnikova, O. and Ismail, I. and Niskanen, J. and Kukk, E. and Trinter, F. and Gisselbrecht, M. and Feifel, R. and Sansone, G. and Rolles, D. and Martins, M. and Meyer, M. and Simon, M. and Santra, R. and Pfeifer, T. and Jahnke, T. and Piancastelli, M. N.}},
  issn         = {{2329-7778}},
  language     = {{eng}},
  month        = {{09}},
  number       = {{5}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Structural Dynamics}},
  title        = {{Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser}},
  url          = {{http://dx.doi.org/10.1063/4.0000197}},
  doi          = {{10.1063/4.0000197}},
  volume       = {{10}},
  year         = {{2023}},
}