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@ARTICLE{Borne:605377,
      author       = {Borne, Kurtis D. and Cooper, Joseph C. and ashfold, michael
                      and Bachmann, Julien and Bhattacharyya, Surjendu and Boll,
                      Rebecca and Bonanomi, Matteo and Bosch, Michael and
                      Callegari, Carlo and Centurion, Martin and Coreno, Marcello
                      and Curchod, Basile and Danailov, Miltcho B. and Demidovich,
                      Alexander and Di Fraia, Michele and Erk, Benjamin and
                      Facciala, Davide and Feifel, Raimund and Forbes, Ruaridh and
                      Hansen, Christopher and Holland, David and Ingle, Rebecca
                      and Lindh, Roland and Ma, Lingyu and McGhee, Henry G. and
                      Muvva, Sri Bhavya and Nunes, Joao Pedro Figueira and Odate,
                      Asami and Pathak, Shashank and Plekan, Oksana and Prince,
                      Kevin and Rebernik, Primoz and Rouzée, Arnaud and Rudenko,
                      Artem and Simoncig, Alberto and Squibb, Richard and
                      Venkatachalam, Anbu and Vozzi, Caterina and Weber, Peter M.
                      and Kirrander, Adam and Rolles, Daniel},
      title        = {{U}ltrafast electronic relaxation pathways of the molecular
                      photoswitch quadricyclane},
      journal      = {Nature chemistry},
      volume       = {16},
      number       = {4},
      issn         = {1755-4330},
      address      = {London},
      publisher    = {Nature Publishing Group},
      reportid     = {PUBDB-2024-01444},
      pages        = {499-505},
      year         = {2024},
      abstract     = {The light-induced ultrafast switching between molecular
                      isomers norbornadiene and quadricyclane can reversibly store
                      and release a substantial amount of chemical energy. Prior
                      work observed signatures of ultrafast molecular dynamics in
                      both isomers upon ultraviolet excitation but could not
                      follow the electronic relaxation all the way back to the
                      ground state experimentally. Here we study the electronic
                      relaxation of quadricyclane after exciting in the
                      ultraviolet (201 nanometres) using time-resolved gas-phase
                      extreme ultraviolet photoelectron spectroscopy combined with
                      non-adiabatic molecular dynamics simulations. We identify
                      two competing pathways by which electronically excited
                      quadricyclane molecules relax to the electronic ground
                      state. The fast pathway (<100 femtoseconds) is
                      distinguished by effective coupling to valence electronic
                      states, while the slow pathway involves initial motions
                      across Rydberg states and takes several hundred
                      femtoseconds. Both pathways facilitate interconversion
                      between the two isomers, albeit on different timescales, and
                      we predict that the branching ratio of
                      norbornadiene/quadricyclane products immediately after
                      returning to the electronic ground state is approximately
                      3:2.},
      cin          = {FS-FLASH-O / $XFEL_E2_SQS$},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-FLASH-O-20160930 /
                      $I:(DE-H253)XFEL_E2_SQS-20210408$},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631)},
      pid          = {G:(DE-HGF)POF4-631},
      experiment   = {EXP:(DE-MLZ)External-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:38307994},
      UT           = {WOS:001156518100001},
      doi          = {10.1038/s41557-023-01420-w},
      url          = {https://bib-pubdb1.desy.de/record/605377},
}