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Double and triple ionisation of isocyanic acid

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.

Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1038/s41598-020-59217-7

Authors


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Role:
Author
ORCID:
0000-0002-3571-1094


Publisher:
Nature Research
Journal:
Scientific Reports More from this journal
Volume:
10
Article number:
2288
Publication date:
2020-02-10
Acceptance date:
2020-01-24
DOI:
EISSN:
2045-2322


Language:
English
Pubs id:
1087425
Local pid:
pubs:1087425
Deposit date:
2020-02-14

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