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The predictive power of aromaticity: quantitative correlation between aromaticity and ionization potentials and HOMO–LUMO gaps in oligomers of benzene, pyrrole, furan, and thiophene

Aromaticity is a central and ubiquitous concept in organic chemistry, and is used extensively to explain various phenomena. Yet, aromaticity cannot be observed or measured as a property in its own right and, to date, only qualitative and semi-quantitative relationships have been described between aromaticity

Authors:   Renana Gershoni-Poranne; Anuja P. Rahalkar; Amnon Stanger
Journal:   Physical Chemistry Chemical Physics
Volume:   20
edition:   21
Pages:   14808
DOI:   10.1039/C8CP02162G
Facts, background information, dossiers
  • aromaticity
  • thiophene
  • pyrrole
  • furan
  • benzene
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