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@ARTICLE{Ghodrati:627066,
      author       = {Ghodrati, Nahid and Eckert, Sebastian and Fondell, Mattis
                      and Scherz, Andreas and Föhlisch, Alexander and Kuiken,
                      Benjamin van},
      title        = {{I}dentification of metal-centered excited states in {C}r(
                      iii ) complexes with time-resolved {L}-edge {X}-ray
                      spectroscopy},
      journal      = {Chemical science},
      volume       = {16},
      number       = {15},
      issn         = {2041-6520},
      address      = {Cambridge},
      publisher    = {RSC},
      reportid     = {PUBDB-2025-01538},
      pages        = {6307 - 6316},
      year         = {2025},
      abstract     = {New coordination complexes of 3d metals that possess
                      photoactive metal-centered (MC) excited states arepromising
                      targets for optical applications and photocatalysis.
                      Ultrafast spectroscopy plays an important rolein elucidating
                      the photophysical mechanisms that underlie photochemical
                      activity. However, it can bedifficult to assign transient
                      signals to specific electronic excited states and
                      mechanistic information isoften inferred from kinetics. Here
                      it is demonstrated that 3d L-edge X-ray absorption
                      spectroscopy ishighly selective for MC excited states. This
                      is accomplished by probing the 2E spin-flip excited state
                      inCr(acac)3 using synchrotron-based picosecond time-resolved
                      XAS in solution. This excited state of Cr(III )has the
                      property that its potential is nested with the ground state,
                      which allows for the assessment ofpurely electronic changes
                      upon excited state formation. Combining the measurements
                      with ligand fieldand ab initio theory shows that the
                      observed spectral changes between the 4 A2 ground state and
                      2Eexcited state are due to an intensity redistribution among
                      the core-excited multiplets. Extrapolatingthese results to
                      higher-lying MC excited states predicts that Cr L3-edge XAS
                      can distinguish two statesseparated by ∼0.1 eV despite the
                      L3-edge resolution being limited by the 0.27 eV lifetime
                      width of the 2pcore-hole. This highlights the potential of
                      L-edge XAS as a sub-natural linewidth probe of
                      electronicstate identity.},
      cin          = {$XFEL_E2_SCS$},
      ddc          = {540},
      cid          = {$I:(DE-H253)XFEL_E2_SCS-20210408$},
      pnm          = {6G13 - Accelerator of European XFEL (POF4-6G13)},
      pid          = {G:(DE-HGF)POF4-6G13},
      experiment   = {EXP:(DE-H253)XFEL-Exp-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:40078607},
      UT           = {WOS:001441340900001},
      doi          = {10.1039/D4SC07625G},
      url          = {https://bib-pubdb1.desy.de/record/627066},
}