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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
- Article/chapterEnglish2018
Publisher, publication year, extent ...
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2018-06-11
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American Chemical Society (ACS),2018
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Numbers
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LIBRIS-ID:oai:DiVA.org:su-158243
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https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-158243URI
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https://doi.org/10.1021/acs.jpclett.8b01429DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-357208URI
Supplementary language notes
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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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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.
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Norell, JesperStockholms universitet,Fysikum(Swepub:su)jeno0968
(author)
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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-Uppsala universitet,Teoretisk kemi,Department of Biotechnology, Chemistry and Pharmacy, Universita ̀ di Siena, Siena, Italy(Swepub:uu)marlu250
(author)
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Wernet, Philippe
(author)
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Gaffney, Kelly
(author)
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Odelius, MichaelStockholms universitet,Fysikum(Swepub:su)odelius
(author)
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Föhlisch, Alexander
(author)
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Stockholms universitetFysikum
(creator_code:org_t)
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In:The Journal of Physical Chemistry Letters: American Chemical Society (ACS)9:12, s. 3538-35431948-7185
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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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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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NATURAL SCIENCES
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NATURAL SCIENCES
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Stockholm University
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Uppsala University