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Disentangling Trans...
Disentangling Transient Charge Density and Metal-Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering
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Jay, Raphael M. (author)
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- Norell, Jesper (author)
- Stockholms universitet,Fysikum
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Eckert, Sebastian (author)
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Hantschmann, Markus (author)
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Beye, Martin (author)
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Kennedy, Brian (author)
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Quevedo, Wilson (author)
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Schlotter, William F. (author)
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Dakovski, Georgi L. (author)
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Minitti, Michael P. (author)
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Hoffmann, Matthias C. (author)
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Mitra, Ankush (author)
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Moeller, Stefan P. (author)
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Nordlund, Dennis (author)
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Zhang, Wenkai (author)
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Liang, Huiyang W. (author)
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Kunnus, Kristian (author)
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Kubicek, Katharina (author)
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Techert, Simone A. (author)
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- Lundberg, Marcus, 1974- (author)
- Uppsala universitet,Teoretisk kemi,Department of Biotechnology, Chemistry and Pharmacy, Universita ̀ di Siena, Siena, Italy
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Wernet, Philippe (author)
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Gaffney, Kelly (author)
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- Odelius, Michael (author)
- Stockholms universitet,Fysikum
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Föhlisch, Alexander (author)
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(creator_code:org_t)
- 2018-06-11
- 2018
- English.
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In: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 9:12, s. 3538-3543
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https://urn.kb.se/re...
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Abstract
Subject headings
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- Soft X-ray spectroscopies are ideal probes of the local valence electronic structure of photocatalytically active metal sites. Here, we apply the selectivity of time resolved resonant inelastic X-ray scattering at the iron L-edge to the transient charge distribution of an optically excited charge-transfer state in aqueous ferricyanide. Through comparison to steady-state spectra and quantum chemical calculations, the coupled effects of valence-shell closing and ligand-hole creation are experimentally and theoretically disentangled and described in terms of orbital occupancy, metal-ligand covalency, and ligand field splitting, thereby extending established steady-state concepts to the excited-state domain. pi-Back-donation is found to be mainly determined by the metal site occupation, whereas the ligand hole instead influences sigma-donation. Our results demonstrate how ultrafast resonant inelastic X-ray scattering can help characterize local charge distributions around catalytic metal centers in short-lived charge-transfer excited states, as a step toward future rationalization and tailoring of photocatalytic capabilities of transition-metal complexes.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Keyword
- teoretisk fysik
- Theoretical Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Jay, Raphael M.
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Norell, Jesper
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Eckert, Sebastia ...
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Hantschmann, Mar ...
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Beye, Martin
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Kennedy, Brian
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show more...
-
Quevedo, Wilson
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Schlotter, Willi ...
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Dakovski, Georgi ...
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Minitti, Michael ...
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Hoffmann, Matthi ...
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Mitra, Ankush
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Moeller, Stefan ...
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Nordlund, Dennis
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Zhang, Wenkai
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Liang, Huiyang W ...
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Kunnus, Kristian
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Kubicek, Kathari ...
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Techert, Simone ...
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Lundberg, Marcus ...
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Wernet, Philippe
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Gaffney, Kelly
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Odelius, Michael
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Föhlisch, Alexan ...
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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 Physical Science ...
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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 Chemical Science ...
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and Physical Chemist ...
- Articles in the publication
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The Journal of P ...
- By the university
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Stockholm University
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Uppsala University