Journal article
Dissociative photoionization of 1,3-dioxolane: We need six channels to fit the elephant.
- Weidner P Department of Chemistry, University of the Pacific, Stockton, California, 95211, USA.
- Voronova K Department of Chemistry, University of Nevada, Reno, Reno, Nevada, 89557, USA.
- Bodi A Laboratory for Synchrotron Radiation and Femtochemistry, Paul Scherrer Institute, 5232, Villigen, Switzerland.
- Sztáray B Department of Chemistry, University of the Pacific, Stockton, California, 95211, USA.
- 2020-06-09
Published in:
- Journal of mass spectrometry : JMS. - 2020
English
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, C3 H5 O2 + (m/z 73), C2 H5 O+ (m/z 45), and C2 H4 O+ (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.
- Language
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- English
- Open access status
- closed
- Identifiers
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- DOI 10.1002/jms.4522
- PMID 32510769
- Persistent URL
- https://sonar.ch/global/documents/139499
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