Improved Ionization Energies for the Two Isomers of Phenylpropargyl Radical | Zendy

Holzmeier Fabian | Zendy; Lang Melanie | Zendy; Hemberger Patrick | Zendy; Fischer Ingo | Zendy

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Improved Ionization Energies for the Two Isomers of Phenylpropargyl Radical

Author(s) -

Holzmeier Fabian,

Lang Melanie,

Hemberger Patrick,

Fischer Ingo

Publication year - 2014

Publication title -

chemphyschem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.016

H-Index - 140

eISSN - 1439-7641

pISSN - 1439-4235

DOI - 10.1002/cphc.201402446

Subject(s) - ionization , photoionization , chemistry , ionization energy , synchrotron radiation , beamline , photoemission spectroscopy , ab initio , atomic physics , ab initio quantum chemistry methods , x ray photoelectron spectroscopy , spectroscopy , radical , spectral line , molar ionization energies of the elements , molecule , physics , optics , ion , nuclear magnetic resonance , organic chemistry , beam (structure) , quantum mechanics , astronomy

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.

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