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Double and Triple Ionisation of Isocyanic Acid

Journal article
Authors John H. D. Eland
Richard J. Squibb
A. Sterling
Måns Wallner
Andreas Hult Roos
Jonas Andersson
V. Axelsson
E. Johansson
Anthony Teichter
S. Stranges
B. Brunetti
J.M. Dyke
F. Duarte
Raimund Feifel
Published in Scientific Reports
Volume 10
ISSN 2045-2322
Publication year 2020
Published at Department of Physics (GU)
Language en
Links https://doi.org/10.1038/s41598-020-...
https://www.nature.com/articles/s41...
https://gup.ub.gu.se/file/208047
Subject categories Atom and Molecular Physics and Optics, Physical Sciences

Abstract

Double and triple ionisation spectra of the reactive molecule isocyanic acid (HNCO) have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vertical double ionisation at an energy of 32.8 ± 0.3 eV forms the 3A” ground state in which the HNCO2+ ion is long lived. The vertical triple ionisation energy is determined as 65 ± 1 eV. The core-valence double ionisation spectra resemble the valence photoelectron spectrum in form, and their main features can be understood on the basis of a simple and rather widely applicable Coulomb model based on the characteristics of the molecular orbitals from which electrons are removed. Characteristics of the most important dissociation channels are examined and discussed.

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