Dissociative photoionization of 1,3‐dioxolane: We need six channels to fit the elephant

The dissociative photoionization of 1,3‐dioxolane was studied by photoelectron photoion coincidence (PEPICO) spectroscopy in the photon energy range of 9.5–13.5 eV. Our statistical thermodynamics model shows that a total of six dissociation channels are involved in the formation of three fragment io...

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Bibliographic Details
Published in:Journal of mass spectrometry. 2020-09, Vol.55 (9), p.e4522-n/a
Main Authors: Weidner, Peter, Voronova, Krisztina, Bodi, Andras, Sztáray, Bálint
Format: Article
Language:English
Subjects:
1,3‐dioxolane
Analytical methods
Channels
Dissociation
Elephants
gas phase
Ions
Mathematical models
PEPICO
Photochemical reactions
Photoelectrons
Photoionization
Potential energy
Quantum chemistry
Spectroscopy
Statistical thermodynamics
synchrotron radiation
unimolecular dissociation
vacuum ultraviolet
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Summary:The dissociative photoionization of 1,3‐dioxolane was studied by photoelectron photoion coincidence (PEPICO) spectroscopy in the photon energy range of 9.5–13.5 eV. Our statistical thermodynamics model shows that a total of six dissociation channels are involved in the formation of three fragment ions, namely, C3H5O2+ (m/z 73), C2H5O+ (m/z 45), and C2H4O+ (m/z 44), with two channels contributing to the formation of each. By comparing the results of ab initio quantum chemical calculations to the experimentally derived appearance energies of the fragment ions, the most likely mechanisms for these unimolecular dissociation reactions are proposed, including a description of the relevant parts of the potential energy surface.
ISSN:1076-5174
1096-9888
DOI:10.1002/jms.4522