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Double and triple ionisation of isocyanic acid

Double and triple ionisation of isocyanic acid
Double and triple ionisation of isocyanic acid
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.
2045-2322
Eland, J.H.D.
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Squibb, R.J.
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Sterling, A.J.
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Wallner, M.
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Hult Roos, A.
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Andersson, S.
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Axelsson, V.
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Johansson, E.
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Teichter, A.
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Stranges, S.
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Brunetti, B.
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Dyke, J.M.
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Duarte, F.
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Feifel, R.
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Eland, J.H.D.
a774ca38-3170-4f38-b55b-6774db2b4031
Squibb, R.J.
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Sterling, A.J.
533100f0-d5df-4b32-89fd-52b37f9010b3
Wallner, M.
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Hult Roos, A.
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Andersson, S.
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Axelsson, V.
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Johansson, E.
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Teichter, A.
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Stranges, S.
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Brunetti, B.
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Dyke, J.M.
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Duarte, F.
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Feifel, R.
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Eland, J.H.D., Squibb, R.J., Sterling, A.J., Wallner, M., Hult Roos, A., Andersson, S., Axelsson, V., Johansson, E., Teichter, A., Stranges, S., Brunetti, B., Dyke, J.M., Duarte, F. and Feifel, R. (2020) Double and triple ionisation of isocyanic acid. Scientific Reports, 10 (1), [2288]. (doi:10.1038/s41598-020-59217-7).

Record type: Article

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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Accepted/In Press date: 24 January 2020
e-pub ahead of print date: 10 February 2020

Identifiers

Local EPrints ID: 437962
URI: http://eprints.soton.ac.uk/id/eprint/437962
ISSN: 2045-2322
PURE UUID: 23edc387-13a3-46ed-9709-00d20f4a3e59
ORCID for J.M. Dyke: ORCID iD orcid.org/0000-0002-9808-303X

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Date deposited: 24 Feb 2020 17:31
Last modified: 07 Oct 2020 01:33

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Contributors

Author: J.H.D. Eland
Author: R.J. Squibb
Author: A.J. Sterling
Author: M. Wallner
Author: A. Hult Roos
Author: S. Andersson
Author: V. Axelsson
Author: E. Johansson
Author: A. Teichter
Author: S. Stranges
Author: B. Brunetti
Author: J.M. Dyke ORCID iD
Author: F. Duarte
Author: R. Feifel

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