title: Improved ionization energies for the two isomers of phenylpropargyl radical.
abstract: The ionization of two resonantly stabilized radicals, namely 1-phenylpropargyl (1PPR) and 3-phenylpropargyl (3PPR) are reinvestigated applying vacuum ultraviolet synchrotron radiation and threshold photoelectron spectroscopy. Ionization energies of 7.24±0.02 and 7.25±0.01 eV are obtained for 1 and 3PPR respectively, which compare well with ab initio calculations. The quality of the spectra are significantly improved mostly due to the application of a new high-photon-flux grating available at the VUV-beamline of Swiss Light Source. Resolved vibrational features are assigned according to a Franck-Condon approach.
authors.affiliation: Institute of Physical and Theoretical Chemistry, University of Würzburg, Am Hubland, 97074 Würzburg (Germany).
authors.forename: Fabian
authors.initials: F
authors.lastname: Holzmeier
authors.forename: Melanie
authors.initials: M
authors.lastname: Lang
authors.forename: Patrick
authors.initials: P
authors.lastname: Hemberger
authors.forename: Ingo
authors.initials: I
authors.lastname: Fischer
keywords: combustion; ionization potentials; photoelectron spectroscopy; radicals; reactive intermediates