Synthesis 2022; 54(22): 4997-5002
special topic
Aryne Chemistry in Synthesis
Multidimensional Isotropic Magnetic Shielding Contour Maps for the Visualization of Aromaticity in ortho -Arynes and Their Reactions
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This work was funded by the French Agence Nationale de la Recherche (ANR) (ANR-19-CE07-0041). Institutional financial support from Aix-Marseille University, Centrale Marseille and the Centre National de la Recherche Scientifique (CNRS) is acknowledged.
Abstract
Visualization of electron delocalization and aromaticity in some selected arynes, including nonplanar examples, and their Diels–Alder or dimerization reactions was achieved through multidimensional isotropic magnetic shielding contour maps. These maps showed that arynes are generally less aromatic than the corresponding arenes, and that aromaticity peaks during their reactions when approaching the transition state.
Key words
arynes -
aromaticity -
DFT calculations -
contorted molecules
Publication History
Received: 31 March 2022
© 2022. Thieme. All rights reserved
Georg Thieme Verlag KG
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