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Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2024

Photoelectron spectrum of the pyridyl radical

Résumé

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.
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mercredi 27 novembre 2024
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Dates et versions

hal-04603509 , version 1 (06-06-2024)

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Emil Karaev, Marius Gerlach, Katharina Theil, Gustavo Garcia, Christian Alcaraz, et al.. Photoelectron spectrum of the pyridyl radical. Physical Chemistry Chemical Physics, 2024, 26, pp.17042-17047. ⟨10.1039/d4cp00688g⟩. ⟨hal-04603509⟩
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