The ortho-benzyne cation is not planar
Author:
Affiliation:
1. Institute of Physical and Theoretical Chemistry
2. University of Würzburg
3. D-97074 Würzburg
4. Germany
5. Laboratory for Femtochemistry and Synchrotron Radiation
6. Paul Scherrer Institut (PSI)
7. CH-5232 Villigen
8. Switzerland
Abstract
Mass-selected threshold photoelectron spectroscopy with synchrotron radiation and high-level quantum chemical computations revealed that the ground state of the ortho-benzyne cation exhibits a twisted geometry and that the ionisation energies have to be revised.
Funder
Deutsche Forschungsgemeinschaft
Bundesamt für Energie
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08055G
Reference74 articles.
1. The Benzyne Story
2. Diradicals
3. Polycyclic Aromatic Hydrocarbon Growth by Diradical Cycloaddition/Fragmentation
4. The Products of the Reactions of o-Benzyne with Ethene, Propene, and Acetylene: A Combined Mass Spectrometric and Quantum Chemical Study
5. A shock tube investigation of H atom production from the thermal dissociation of ortho-benzyne radicals
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