New evidence for through-space transmission of substituent effects in benzene derivatives†
Abstract
Electrostatic interaction energies between dipolar substituents and dipolar or charged reaction sites are re-examined. At short interaction distances and given orientations, the point-dipole approximation is shown to introduce important errors. Exact expressions are derived for correcting current equations for both interaction types, including the Kirkwood–Westheimer equation. The parameter λ for describing para–meta ratios of substituent inductive or Electra effects in