University of Oulu

Wallner, M., Eland, J.H.D., Squibb, R.J. et al. Coulomb explosion of CD3I induced by single photon deep inner-shell ionisation. Sci Rep 10, 1246 (2020).

Coulomb explosion of CD₃I induced by single photon deep inner-shell ionisation

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Author: Wallner, M.1; Eland, J. H. D.1,2; Squibb, R. J.1;
Organizations: 1Department of Physics, University of Gothenburg, Origovägen 6B, 412 58, Gothenburg, Sweden
2Department of Chemistry, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford, OX1 3QZ, United Kingdom
3Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, FI-90014, Oulu, Finland
4Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005, Paris, Cedex 05, France
5Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20, Uppsala, Sweden
6Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192, Gif-sur-Yvette, Cedex, France
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.3 MB)
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Language: English
Published: Springer Nature, 2020
Publish Date: 2021-02-11


L-shell ionisation and subsequent Coulomb explosion of fully deuterated methyl iodide, CD₃I, irradiated with hard X-rays has been examined by a time-of-flight multi-ion coincidence technique. The core vacancies relax efficiently by Auger cascades, leading to charge states up to 16+. The dynamics of the Coulomb explosion process are investigated by calculating the ions’ flight times numerically based on a geometric model of the experimental apparatus, for comparison with the experimental data. A parametric model of the explosion, previously introduced for multi-photon induced Coulomb explosion, is applied in numerical simulations, giving good agreement with the experimental results for medium charge states. Deviations for higher charges suggest the need to include nuclear motion in a putatively more complete model. Detection efficiency corrections from the simulations are used to determine the true distributions of molecular charge states produced by initial L1, L2 and L3 ionisation.

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Series: Scientific reports
ISSN: 2045-2322
ISSN-E: 2045-2322
ISSN-L: 2045-2322
Volume: 10
Issue: 1
Article number: 1246
DOI: 10.1038/s41598-020-58251-9
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
Funding: This work has been financially supported by the Swedish Research Council (VR) and the Knut and Alice Wallenberg Foundation, Sweden. Open access funding provided by University of Gothenburg.
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