Concave or convex π-dimers: the role of the pancake bond in substituted phenalenyl radical dimers
Author:
Affiliation:
1. Department of Chemistry
2. Georgetown University
3. Washington
4. USA
5. Department of Chemistry and Biochemistry
6. Texas Tech University
7. Lubbock
8. Institute for Theoretical Chemistry
Abstract
π-stacking phenalenyl radical dimers are overwhelmingly convex (a) and not concave (b) due to electron sharing at the SOMO centers.
Funder
Directorate for Biological Sciences
Austrian Science Fund
Welch Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP03759J
Reference63 articles.
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3. Metals and Superconductors: Molecular Analogs of Atomic Hydrogen
4. Characterizing the Dimerizations of Phenalenyl Radicals by ab Initio Calculations and Spectroscopy: σ-Bond Formation versus Resonance π-Stabilization
5. Synthesis, Characterization, and Coordination Chemistry of the 2-Azaphenalenyl Radical
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