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Photoelectron spectrum of the pyridyl radical.
Karaev, Emil; Gerlach, Marius; Theil, Katharina; Garcia, Gustavo A; Alcaraz, Christian; Loison, Jean-Christophe; Fischer, Ingo.
Afiliación
  • Karaev E; University of Würzburg, Institute of Physical and Theoretical Chemistry, Am Hubland, 97074 Würzburg, Germany. ingo.fischer@uni-wuerzburg.de.
  • Gerlach M; University of Würzburg, Institute of Physical and Theoretical Chemistry, Am Hubland, 97074 Würzburg, Germany. ingo.fischer@uni-wuerzburg.de.
  • Theil K; University of Würzburg, Institute of Physical and Theoretical Chemistry, Am Hubland, 97074 Würzburg, Germany. ingo.fischer@uni-wuerzburg.de.
  • Garcia GA; Synchrotron Soleil, L'Orme des Merisiers, St Aubin, B.P. 48, F-91192 Gif sur Yvette, France.
  • Alcaraz C; Universite Paris-Saclay, CNRS, Institut de Chimie Physique, UMR8000, 91405 Orsay, France.
  • Loison JC; ISM-CNRS, Universite de Bordeaux, 351 cours de la Liberation, F-33405 Talence, France.
  • Fischer I; University of Würzburg, Institute of Physical and Theoretical Chemistry, Am Hubland, 97074 Würzburg, Germany. ingo.fischer@uni-wuerzburg.de.
Phys Chem Chem Phys ; 26(24): 17042-17047, 2024 Jun 19.
Article en En | MEDLINE | ID: mdl-38836386
ABSTRACT
We report the photoelectron spectrum of the pyridyl radical (C5H4N), a species of interest in astrochemistry and combustion. The radicals were produced via hydrogen abstraction in a fluorine discharge and ionized with synchrotron radiation. Mass-selected slow photoelectron spectra of the products were obtained from photoelectron-photoion coincidence spectra. A Franck-Condon simulation based on computed geometries and vibrational frequencies identified contributions of the o- and p-pyridyl radicals. For the o-isomer an adiabatic ionisation energy of 7.70 eV was obtained, in excellent agreement with a computed value of 7.72 eV. The spectrum of o-pyridyl is characterized by a long progression in an in-plane bending mode and the N-C stretch that contains the radical site.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Alemania
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