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The Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast X-ray Scattering.
Huang, Lisa; Bertram, Lauren; Ma, Lingyu; Goff, Nathan; Crane, Stuart W; Odate, Asami; Northey, Thomas; Carrascosa, Andrés Moreno; Simmermacher, Mats; Muvva, Sri Bhavya; Geiser, Joseph D; Lueckheide, Matthew J; Phelps, Zane; Liang, Mengning; Cheng, Xinxin; Forbes, Ruaridh; Robinson, Joseph S; Hayes, Matthew J; Allum, Felix; Green, Alice E; Lopata, Kenneth; Rudenko, Artem; Wolf, Thomas J A; Centurion, Martin; Rolles, Daniel; Minitti, Michael P; Kirrander, Adam; Weber, Peter M.
Afiliação
  • Huang L; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Bertram L; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
  • Ma L; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Goff N; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Crane SW; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Odate A; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Northey T; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Carrascosa AM; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
  • Simmermacher M; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
  • Muvva SB; Department of Physics and Astronomy, University of Nebraska - Lincoln, Lincoln, Nebraska 68588, United States.
  • Geiser JD; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Lueckheide MJ; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
  • Phelps Z; Department of Physics, Kansas State University, Manhattan, Kansas 66506, United States.
  • Liang M; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Cheng X; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Forbes R; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Robinson JS; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Hayes MJ; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Allum F; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Green AE; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Lopata K; European XFEL, Schenefeld 22869, Germany.
  • Rudenko A; Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States.
  • Wolf TJA; Department of Physics, Kansas State University, Manhattan, Kansas 66506, United States.
  • Centurion M; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Rolles D; Department of Physics and Astronomy, University of Nebraska - Lincoln, Lincoln, Nebraska 68588, United States.
  • Minitti MP; Department of Physics, Kansas State University, Manhattan, Kansas 66506, United States.
  • Kirrander A; SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States.
  • Weber PM; Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.
J Phys Chem A ; 128(25): 4992-4998, 2024 Jun 27.
Article em En | MEDLINE | ID: mdl-38709555
ABSTRACT
The dynamics of cyclopentadiene (CP) following optical excitation at 243 nm was investigated by time-resolved pump-probe X-ray scattering using 16.2 keV X-rays at the Linac Coherent Light Source (LCLS). We present the first ultrafast structural evidence that the reaction leads directly to the formation of bicyclo[2.1.0]pentene (BP), a strained molecule with three- and four-membered rings. The bicyclic compound decays via a thermal backreaction to the vibrationally hot CP with a time constant of 21 ± 3 ps. A minor channel leads to ring-opened structures on a subpicosecond time scale.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Estados Unidos

Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Estados Unidos