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@ARTICLE{Lever:605144,
      author       = {Lever, Fabiano and Picconi, David and Mayer, Dennis and
                      Alisauskas, Skirmantas and Calegari, Francesca and
                      Duesterer, Stefan and Feifel, Raimund and Kuhlmann, Marion
                      and Mazza, Tommaso and Metje, Jan and Robinson, Matthew and
                      Squibb, Richard and Trabattoni, Andrea and Ware, Matthew and
                      Saalfrank, Peter and Wolf, Thomas and Guehr, Markus},
      title        = {{D}irect observation of $ππ^*$ to $nπ^*$ transition in
                      2-thiouracil via time resolved {NEXAFS} spectroscopy},
      journal      = {The journal of physical chemistry letters},
      volume       = {16},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2024-01318},
      pages        = {4038 - 4046},
      year         = {2025},
      abstract     = {The photophysics of nucleobases has been the object of both
                      theoretical and experimental studies over the past decades,
                      due to the challenges posed by the non-BOA (Born-Oppenheimer
                      Approximation) dynamics in their relaxation pathway. In this
                      context, the ultrafast dynamics of 2-thiouracil has been
                      investigated with a time-resolved NEXAFS study at the Free
                      Electron Laser FLASH.We show that x-ray absorption
                      spectroscopy can be used to observe electronic transitions
                      in ultrafast molecular relaxation. We use a uv-pump / x-ray
                      probe scheme to measure the changes induced by
                      photoexcitation to the x-ray absorption at the sulfur 2s and
                      2p edges, identifying absorption features corresponding to
                      the S2 (ππ*) and S1 (nπ*) electronic states. We observe a
                      delay of 102 ± 11 fs in the population of the nπ* state
                      with respect to the initial optical excitation. We
                      furthermore identify the presence of coherent oscillations
                      in the absorption signal that match a similar observation in
                      our previous x-ray photoelectron spectroscopy study.},
      cin          = {FS-FLASH / FS-FLASH-D / FS-FLASH-O / FS-ATTO},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-FLASH-20140814 /
                      I:(DE-H253)FS-FLASH-D-20160930 /
                      I:(DE-H253)FS-FLASH-O-20160930 /
                      I:(DE-H253)FS-ATTO-20170403},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G2 - FLASH (DESY) (POF4-6G2) / SWEDEN-DESY -
                      SWEDEN-DESY Collaboration $(2020_Join2-SWEDEN-DESY)$ / SFB
                      1636 A03 - Bindungsaktivierung und molekulare Dynamik an
                      Metallnanopartikeln untersucht mittels Röntgenspektroskopie
                      (A03) (535988987) / SoftMeter - Multi-messenger soft-field
                      spectroscopy of molecular electronics at interfaces
                      (101076500) / AIM, DFG project G:(GEPRIS)390715994 - EXC
                      2056: CUI: Advanced Imaging of Matter (390715994)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G2 /
                      $G:(DE-HGF)2020_Join2-SWEDEN-DESY$ / G:(GEPRIS)535988987 /
                      G:(EU-Grant)101076500 / G:(GEPRIS)390715994},
      experiment   = {EXP:(DE-H253)F-FL24-20150901},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {40232202},
      UT           = {WOS:001467403900001},
      doi          = {10.1021/acs.jpclett.5c00544},
      url          = {https://bib-pubdb1.desy.de/record/605144},
}