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Journal Article

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

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Trinter,  Florian       
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Guillemin, R., Inhester, L., Ilchen, M., Mazza, T., Boll, R., Weber, T., et al. (2023). Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser. Structural Dynamics, 10(5): 054302. doi:10.1063/4.0000197.


Cite as: https://hdl.handle.net/21.11116/0000-000D-C27C-D
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.