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Non-radiative decay...
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Sankari, AnnaLund 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
(author)
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron–ion coincidence spectroscopy
- Article/chapterEnglish2020
Publisher, publication year, extent ...
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AIP Publishing,2020
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electronicrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:uu-404397
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-404397URI
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https://doi.org/10.1063/1.5141414DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-13666URI
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https://lup.lub.lu.se/record/9001c499-ad72-47dd-ac01-9fbf57ffd181URI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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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.
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Stråhlman, Christian,1987-Malmö University,Lund University,Lunds universitet,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM),MAX IV-laboratoriet,MAX IV Laboratory(Swepub:lu)maxl-csm
(author)
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Sankari, RamiLund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,Tampere University of Technology(Swepub:lu)maxl-rsi
(author)
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Partanen, LeenaTampere University of Technology,University of Oulu
(author)
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Laksman, JoakimLund 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(Swepub:lu)slju-jkl
(author)
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Kettunen, J. AnttiUniversity of Oulu
(author)
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Fernández Galván, Ignacio,1977-Uppsala universitet,Organisk kemi(Swepub:uu)ignga749
(author)
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Lindh, Roland,Professor,1958-Uppsala University,Uppsala universitet,Organisk kemi(Swepub:lu)chem-rli
(author)
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Malmqvist, Per ÅkeLund 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(Swepub:lu)teok-pma
(author)
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Sorensen, Stacey L.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(Swepub:lu)slju-sri
(author)
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Galvan, Ignacio Fdez.Uppsala University
(author)
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SynkrotronljusfysikFysiska institutionen
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In:Journal of Chemical Physics: AIP Publishing152:70021-96061089-7690
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Sankari, Rami
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Partanen, Leena
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