Title of article :
An electrostatic scale of substituent resonance effect
Author/Authors :
Sayyed، نويسنده , , Fareed Bhasha and Suresh، نويسنده , , Cherumuttathu H. Suresh، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2009
Abstract :
Substituent resonance constant, σ R v is calculated from substituted benzenes using molecular electrostatic potential (MESP). The reliability of σ R v is rigorously verified using isodesmic reactions and found that the energy component of substituent resonance effect is proportional to σ R v . Thus the MESP approach enabled the definition to an electrostatic scale of substituent resonance effect.
Keywords :
Resonance effect , Molecular electrostatic potential , Isodesmic reactions , substituent effects , Density functional theory
Journal title :
Tetrahedron Letters
Journal title :
Tetrahedron Letters