An electrostatic scale of substituent resonance effect

Substituent resonance constant, σRv is calculated from substituted benzenes using molecular electrostatic potential (MESP). The reliability of σRv is rigorously verified using isodesmic reactions and found that the energy component of substituent resonance effect is proportional to σRv. Thus the MESP approach enabled the definition to an electrostatic scale of substituent resonance effect.

An electrostatic scale to substituent resonance effects is proposed using molecular electrostatic potential and the reliability of electrostatic resonance constants (σRv) is corroborated by three sets of isodesmic reactions.