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
Pages
4
From page
7351
To page
7354
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
Serial Year
2009
Journal title
Tetrahedron Letters
Record number
1867279
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