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  • Jay, Raphael M. (author)

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 ...

  • 2018-06-11
  • American Chemical Society (ACS),2018
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:su-158243
  • https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-158243URI
  • https://doi.org/10.1021/acs.jpclett.8b01429DOI
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-357208URI

Supplementary language notes

  • Language:English
  • Summary in:English

Part of subdatabase

Classification

  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • 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 and genre

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  • Norell, JesperStockholms universitet,Fysikum(Swepub:su)jeno0968 (author)
  • Eckert, Sebastian (author)
  • Hantschmann, Markus (author)
  • Beye, Martin (author)
  • Kennedy, Brian (author)
  • Quevedo, Wilson (author)
  • Schlotter, William F. (author)
  • Dakovski, Georgi L. (author)
  • Minitti, Michael P. (author)
  • Hoffmann, Matthias C. (author)
  • Mitra, Ankush (author)
  • Moeller, Stefan P. (author)
  • Nordlund, Dennis (author)
  • Zhang, Wenkai (author)
  • Liang, Huiyang W. (author)
  • Kunnus, Kristian (author)
  • Kubicek, Katharina (author)
  • Techert, Simone A. (author)
  • Lundberg, Marcus,1974-Uppsala universitet,Teoretisk kemi,Department of Biotechnology, Chemistry and Pharmacy, Universita ̀ di Siena, Siena, Italy(Swepub:uu)marlu250 (author)
  • Wernet, Philippe (author)
  • Gaffney, Kelly (author)
  • Odelius, MichaelStockholms universitet,Fysikum(Swepub:su)odelius (author)
  • Föhlisch, Alexander (author)
  • Stockholms universitetFysikum (creator_code:org_t)

Related titles

  • In:The Journal of Physical Chemistry Letters: American Chemical Society (ACS)9:12, s. 3538-35431948-7185

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