Synthesis 2022; 54(22): 4997-5002
DOI: 10.1055/a-1867-0674
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.

Supporting Information



Publication History

Received: 31 March 2022

Accepted after revision: 01 June 2022

Accepted Manuscript online:
01 June 2022

Article published online:
05 July 2022

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