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Non-radiative decay...
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron–ion coincidence spectroscopy
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- Sankari, Anna (author)
- Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Faculty of Engineering, LTH
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- Stråhlman, Christian, 1987- (author)
- Malmö University,Lund University,Lunds universitet,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM),MAX IV-laboratoriet,MAX IV Laboratory
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- Sankari, Rami (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,Tampere University of Technology
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- Partanen, Leena (author)
- Tampere University of Technology,University of Oulu
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- Laksman, Joakim (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,MAX IV Laboratory,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
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- Kettunen, J. Antti (author)
- University of Oulu
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- Fernández Galván, Ignacio, 1977- (author)
- Uppsala universitet,Organisk kemi
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- Lindh, Roland, Professor, 1958- (author)
- Uppsala University,Uppsala universitet,Organisk kemi
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- Malmqvist, Per Åke (author)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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- Sorensen, Stacey L. (author)
- Lund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
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- Galvan, Ignacio Fdez. (author)
- Uppsala University
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(creator_code:org_t)
- AIP Publishing, 2020
- 2020
- English.
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In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 152:7
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Abstract
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- In this paper, we examine decay and fragmentation of core-excited and core-ionized water molecules combining quantum chemical calculations and electron-energy-resolved electron–ion coincidence spectroscopy. The experimental technique allows us to connect electronic decay from core-excited states, electronic transitions between ionic states, and dissociation of the molecular ion. To this end, we calculate the minimum energy dissociation path of the core-excited molecule and the potential energy surfaces of the molecular ion. Our measurements highlight the role of ultra-fast nuclear motion in the 1a1-14a1 core-excited molecule in the production of fragment ions. OH+ fragments dominate for spectator Auger decay. Complete atomization after sequential fragmentation is also evident through detection of slow H+ fragments. Additional measurements of the non-resonant Auger decay of the core-ionized molecule (1a1-1) to the lower-energy dication states show that the formation of the OH+ + H+ ion pair dominates, whereas sequential fragmentation OH+ + H+ → O + H+ + H+ is observed for transitions to higher dication states, supporting previous theoretical investigations.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
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- ref (subject category)
- art (subject category)
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- By the author/editor
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Sankari, Anna
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Stråhlman, Chris ...
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Sankari, Rami
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Partanen, Leena
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Laksman, Joakim
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Kettunen, J. Ant ...
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show more...
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Fernández Galván ...
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Lindh, Roland, P ...
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Malmqvist, Per Å ...
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Sorensen, Stacey ...
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Galvan, Ignacio ...
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- 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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and Theoretical Chem ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Atom and Molecul ...
- Articles in the publication
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Journal of Chemi ...
- By the university
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Uppsala University
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Malmö University
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Lund University