Modelling aromatisation of (BN)nH2n azabora-annulenes
Author:
Affiliation:
1. Department of Chemistry
2. University of Sheffield
3. Sheffield
4. UK
Abstract
Although borazine, the ‘inorganic benzene’, is non-aromatic, ab initio calculation, guided by symmetry and electron-counting arguments, indicates that charging up the higher homologue borazocine to the dianionic state gives an aromatic monocycle.
Funder
Engineering and Physical Sciences Research Council
University of Sheffield
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02284E
Reference37 articles.
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3. Is Borazine Aromatic? Unusual Parallel Behavior between Hydrocarbons and Corresponding B−N Analogues
4. Ring Currents and Aromaticity of Monocyclic π-Electron Systems C6H6, B3N3H6, B3O3H3, C3N3H3, C5H5-, C7H7+, C3N3F3, C6H3F3, and C6F6
5. An Evaluation of the Aromaticity of Inorganic Rings: Refined Evidence from Magnetic Properties
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