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Doubly ionized OCS ...
Doubly ionized OCS bond rearrangement upon fragmentation - experiment and theory
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Jarraya, M. (author)
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- Wallner, Måns, 1992 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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Ben Yaghlane, S. (author)
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- Olsson, Emelie, 1993 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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- Ideböhn, Veronica, 1992 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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- Squibb, Richard J. (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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Palaudoux, J. (author)
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- Nyman, Gunnar, 1957 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology
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Al-Mogren, M. M. (author)
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Eland, J. H. D. (author)
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- Feifel, Raimund (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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Hochlaf, M. (author)
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(creator_code:org_t)
- 2023
- 2023
- English.
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In: Physical Chemistry Chemical Physics. - 1463-9076. ; 25:29, s. 19435-19445
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Abstract
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- The dissociation of OCS2+ ions formed by photoionization of the neutral molecule at 40.81 eV is examined using threefold and fourfold electron-ion coincidence spectroscopy combined with high level quantum chemical calculations on isomeric structures and their potential energy surfaces. The dominant dissociation channel of [OCS](2+) is charge separation forming CO+ + S+ ion pairs, found here to be formed with low intensity at a lower-energy onset and with a correspondingly smaller kinetic energy release than in the more intense higher energy channel previously reported. We explain the formation of CO+ + S+ ion pairs at low as well as higher ionization energies by the existence of two predissociation channels, one involving a newly identified COS2+ metastable state. We conclude that the dominant CO+ + S+ channel with 5.2 eV kinetic energy release is reached upon OCS2+ & RARR; COS2+ isomerization, whereas the smaller kinetic energy release (of & SIM;4 eV) results from the direct fragmentation of OCS2+ (X-3 & sigma;(-)) ions. Dissociation of the COS2+ isomer also explains the existence of the minor C+ + SO+ ion pair channel. We suggest that isomerization prior to dissociation may be a widespread mechanism in dications and more generally in multiply charged ion dissociations.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Chemistry
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Jarraya, M.
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Wallner, Måns, 1 ...
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Ben Yaghlane, S.
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Olsson, Emelie, ...
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Ideböhn, Veronic ...
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Squibb, Richard ...
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show more...
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Palaudoux, J.
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Nyman, Gunnar, 1 ...
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Al-Mogren, M. M.
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Eland, J. H. D.
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Feifel, Raimund
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Hochlaf, M.
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
- Articles in the publication
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Physical Chemist ...
- By the university
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University of Gothenburg