Quantification of CH????? interactions: Implications on how substituent effects influence aromatic interactions

  • Gung B
  • Emenike B
  • Lewis M
 et al. 
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Abstract

Attractive interactions between a substituted benzene ring and an α-substituted acetate group were determined experimentally by using the triptycene model system. The attractive interaction correlates well with the Hammett constants σ(m) (R(2)=0.90), but correlates much better with the acidity of the α-protons (R(2)=0.98).

Author-supplied keywords

  • Hammett plots
  • aromatic interactions
  • computational chemistry
  • substituent effects
  • triptycenes

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