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The carbon and oxygen K-edge NEXAFS spectra of CO+

Couto, Rafael Carvalho (author)
KTH Royal Institute of Technology,KTH,Teoretisk kemi och biologi,Royal Inst Technol, Dept Theoret Chem & Biol, Sch Chem Biotechnol & Hlth, SE-10691 Stockholm, Sweden
Kjellsson, Ludvig (author)
Uppsala University,Uppsala universitet,Molekyl- och kondenserade materiens fysik,Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.;European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany.
Ågren, Hans (author)
Uppsala University,KTH Royal Institute of Technology,KTH,Uppsala universitet,Molekyl- och kondenserade materiens fysik,Royal Inst Technol, Dept Theoret Chem & Biol, Sch Chem Biotechnol & Hlth, SE-10691 Stockholm, Sweden; Tomsk State Univ, 36 Lenin Ave, Tomsk, Russia,Teoretisk kemi och biologi,Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.;Tomsk State Univ, 36 Lenin Ave, Tomsk, Russia.,Tomsk State University
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Carravetta, Vincenzo (author)
IPCF CNR, Via Moruzzi 1, I-56124 Pisa, Italy.,CNR Istituto per le Tecnologie Applicate ai Beni Culturali (CNR-ITABC)
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,Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden
Kubin, Markus (author)
Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.,Helmholtz Association of German Research Centers
Bülow, Christine (author)
Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.,Helmholtz Association of German Research Centers
Timm, Martin (author)
Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.,Helmholtz Association of German Research Centers
Zamudio-Bayer, Vicente (author)
Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.,Helmholtz Association of German Research Centers
von Issendorff, Bernd (author)
Albert Ludwigs Univ Freiburg, Phys Inst, Hermann Herder Str 3, D-79104 Freiburg, Germany.,Albert-Ludwigs University Freiburg
Lau, J. Tobias (author)
Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.;Albert Ludwigs Univ Freiburg, Phys Inst, Hermann Herder Str 3, D-79104 Freiburg, Germany.,Helmholtz Association of German Research Centers,Albert-Ludwigs University Freiburg
Söderström, Johan, 1978- (author)
Uppsala University,Uppsala universitet,Molekyl- och kondenserade materiens fysik,Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.
Rubensson, Jan-Erik (author)
Uppsala University,Uppsala universitet,Molekyl- och kondenserade materiens fysik,Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.
Lindblad, Rebecka, 1984- (author)
Uppsala University,Lund University,Lunds universitet,Uppsala universitet,Oorganisk kemi,Lund Univ, Dept Phys, Box 118, S-22100 Lund, Sweden.;Helmholtz Zentrum Berlin Mat & Energie, Abt Hochempfindl Rontgenspektroskopie, Albert Einstein Str 15, D-12489 Berlin, Germany.;Uppsala Univ, Inorgan Chem, Dept Chem, Angstrom Lab, SE-75121 Uppsala, Sweden.,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Helmholtz Association of German Research Centers
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 (creator_code:org_t)
2020
2020
English.
In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 22:28, s. 16215-16223
Related links:
https://doi.org/10.1...
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https://uu.diva-port... (primary) (Raw object)
https://pubs.rsc.org...
http://dx.doi.org/10... (free)
https://urn.kb.se/re...
https://doi.org/10.1...
https://urn.kb.se/re...
https://lup.lub.lu.s...
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  • Journal article (peer-reviewed)
Abstract Subject headings
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  • We present and analyze high resolution near edge X-ray absorption fine structure (NEXAFS) spectra of CO+ at the carbon and oxygen K-edges. The spectra show a wealth of features that appear very differently at the two K-edges. The analysis of these features can be divided into three parts; (i) repopulation transition to the open shell orbital – here the C(1s) or O(1s) to 5σ transition, where the normal core hole state is reached from a different initial state and different interaction than in X-ray photoelectron spectroscopy; (ii) spin coupled split valence bands corresponding to C(1s) or O(1s) to π* transitions; (iii) remainder weak and long progressions towards the double ionization potentials containing a manifold of peaks. These parts, none of which has correspondence in NEXAFS spectra of neutral molecules, are dictated by the localization of the singly occupied 5σ orbital, adding a dimension of chemistry to the ionic NEXAFS technique.

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)
NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

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