Abstract:
Substituent resonance constant, sigma(V)(R) is calculated front Substituted benzenes using molecular electrostatic potential (MESP). The reliability of sigma(V)(R) is rigorously verified using isodesmic reactions and found that the energy component of substituent resonance effect is proportional to sigma(V)(R). Thus the MESP approach enabled the definition to an electrostatic scale Of substituent resonance effect.
