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Conformer-specific photochemistry imaged in real space and time.
Champenois, E G; Sanchez, D M; Yang, J; Figueira Nunes, J P; Attar, A; Centurion, M; Forbes, R; Gühr, M; Hegazy, K; Ji, F; Saha, S K; Liu, Y; Lin, M-F; Luo, D; Moore, B; Shen, X; Ware, M R; Wang, X J; Martínez, T J; Wolf, T J A.
Afiliação
  • Champenois EG; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Sanchez DM; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Yang J; Department of Chemistry, Stanford University, Stanford, CA, USA.
  • Figueira Nunes JP; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Attar A; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Centurion M; Center of Basic Molecular Science, Department of Chemistry, Tsinghua University, Beijing, China.
  • Forbes R; Department of Physics and Astronomy, University of Nebraska, Lincoln, NE, USA.
  • Gühr M; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Hegazy K; Department of Physics and Astronomy, University of Nebraska, Lincoln, NE, USA.
  • Ji F; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Saha SK; Institut für Physik und Astronomie, Universität Potsdam, Potsdam, Germany.
  • Liu Y; Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Lin MF; Department of Physics, Stanford University, Stanford, CA, USA.
  • Luo D; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Moore B; Department of Physics and Astronomy, University of Nebraska, Lincoln, NE, USA.
  • Shen X; Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY, USA.
  • Ware MR; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Wang XJ; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
  • Martínez TJ; Department of Physics and Astronomy, University of Nebraska, Lincoln, NE, USA.
  • Wolf TJA; SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
Science ; 374(6564): 178-182, 2021 Oct 08.
Article em En | MEDLINE | ID: mdl-34618569
ABSTRACT
Conformational isomers (conformers) of molecules play a decisive role in biology and organic chemistry. However, experimental methods for investigating chemical reaction dynamics are typically not conformer-sensitive. We report on a gas-phase megaelectronvolt ultrafast electron diffraction investigation of α-phellandrene undergoing an electrocyclic ring-opening reaction. We directly imaged the evolution of a specific set of α-phellandrene conformers into the product isomer predicted by the Woodward-Hoffmann rules in real space and time. Our experimental results are in quantitative agreement with nonadiabatic quantum molecular dynamics simulations, which provide considerable detail of how conformation influences the time scale and quantum efficiency of photoinduced ring-opening reactions.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article