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Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening.
Pathak, Shashank; Ibele, Lea M; Boll, Rebecca; Callegari, Carlo; Demidovich, Alexander; Erk, Benjamin; Feifel, Raimund; Forbes, Ruaridh; Di Fraia, Michele; Giannessi, Luca; Hansen, Christopher S; Holland, David M P; Ingle, Rebecca A; Mason, Robert; Plekan, Oksana; Prince, Kevin C; Rouzée, Arnaud; Squibb, Richard J; Tross, Jan; Ashfold, Michael N R; Curchod, Basile F E; Rolles, Daniel.
Afiliación
  • Pathak S; J.R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS, USA.
  • Ibele LM; Department of Chemistry, Durham University, Durham, UK.
  • Boll R; European XFEL, Schenefeld, Germany.
  • Callegari C; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Demidovich A; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Erk B; Deutsches Elektronen-Synchrotron, Hamburg, Germany.
  • Feifel R; Department of Physics, University of Gothenburg, Gothenburg, Sweden.
  • Forbes R; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Di Fraia M; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Giannessi L; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Hansen CS; Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati, Italy.
  • Holland DMP; School of Chemistry, University of New South Wales, Sydney, New South Wales, Australia.
  • Ingle RA; Daresbury Laboratory, Warrington, UK.
  • Mason R; Department of Chemistry, University College London, London, UK.
  • Plekan O; Department of Chemistry, University of Oxford, Oxford, UK.
  • Prince KC; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Rouzée A; Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy.
  • Squibb RJ; Centre for Translational Atomaterials, Swinburne University of Technology, Melbourne, Victoria, Australia.
  • Tross J; Max-Born-Institut, Berlin, Germany.
  • Ashfold MNR; Department of Physics, University of Gothenburg, Gothenburg, Sweden.
  • Curchod BFE; J.R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS, USA.
  • Rolles D; School of Chemistry, University of Bristol, Bristol, UK. mike.ashfold@bristol.ac.uk.
Nat Chem ; 12(9): 795-800, 2020 09.
Article en En | MEDLINE | ID: mdl-32690894
Photoinduced isomerization reactions lie at the heart of many chemical processes in nature. The mechanisms of such reactions are determined by a delicate interplay of coupled electronic and nuclear dynamics occurring on the femtosecond scale, followed by the slower redistribution of energy into different vibrational degrees of freedom. Here we apply time-resolved photoelectron spectroscopy with a seeded extreme ultraviolet free-electron laser to trace the ultrafast ring opening of gas-phase thiophenone molecules following ultraviolet photoexcitation. When combined with ab initio electronic structure and molecular dynamics calculations of the excited- and ground-state molecules, the results provide insights into both the electronic and nuclear dynamics of this fundamental class of reactions. The initial ring opening and non-adiabatic coupling to the electronic ground state are shown to be driven by ballistic S-C bond extension and to be complete within 350 fs. Theory and experiment also enable visualization of the rich ground-state dynamics that involve the formation of, and interconversion between, ring-opened isomers and the cyclic structure, as well as fragmentation over much longer timescales.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Chem Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Chem Asunto de la revista: QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Reino Unido