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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 ...
Autores principales: | , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7010812/ https://www.ncbi.nlm.nih.gov/pubmed/32042092 http://dx.doi.org/10.1038/s41598-020-59217-7 |
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author | Eland, J. H. D. Squibb, R. J. Sterling, A. J. Wallner, M. Roos, A. Hult Andersson, J. Axelsson, V. Johansson, E. Teichter, A. Stranges, S. Brunetti, B. Dyke, J. M. Duarte, F. Feifel, R. |
author_facet | Eland, J. H. D. Squibb, R. J. Sterling, A. J. Wallner, M. Roos, A. Hult Andersson, J. Axelsson, V. Johansson, E. Teichter, A. Stranges, S. Brunetti, B. Dyke, J. M. Duarte, F. Feifel, R. |
author_sort | Eland, J. H. D. |
collection | PubMed |
description | 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 (3)A” ground state in which the HNCO(2+) 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. |
format | Online Article Text |
id | pubmed-7010812 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-70108122020-02-21 Double and Triple Ionisation of Isocyanic Acid Eland, J. H. D. Squibb, R. J. Sterling, A. J. Wallner, M. Roos, A. Hult Andersson, J. Axelsson, V. Johansson, E. Teichter, A. Stranges, S. Brunetti, B. Dyke, J. M. Duarte, F. Feifel, R. Sci Rep Article 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 (3)A” ground state in which the HNCO(2+) 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. Nature Publishing Group UK 2020-02-10 /pmc/articles/PMC7010812/ /pubmed/32042092 http://dx.doi.org/10.1038/s41598-020-59217-7 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Eland, J. H. D. Squibb, R. J. Sterling, A. J. Wallner, M. Roos, A. Hult Andersson, J. Axelsson, V. Johansson, E. Teichter, A. Stranges, S. Brunetti, B. Dyke, J. M. Duarte, F. Feifel, R. Double and Triple Ionisation of Isocyanic Acid |
title | Double and Triple Ionisation of Isocyanic Acid |
title_full | Double and Triple Ionisation of Isocyanic Acid |
title_fullStr | Double and Triple Ionisation of Isocyanic Acid |
title_full_unstemmed | Double and Triple Ionisation of Isocyanic Acid |
title_short | Double and Triple Ionisation of Isocyanic Acid |
title_sort | double and triple ionisation of isocyanic acid |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7010812/ https://www.ncbi.nlm.nih.gov/pubmed/32042092 http://dx.doi.org/10.1038/s41598-020-59217-7 |
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