| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5278293 | Tetrahedron Letters | 2009 | 4 Pages |
Abstract
Substituent resonance constant, ÏRv is calculated from substituted benzenes using molecular electrostatic potential (MESP). The reliability of ÏRv is rigorously verified using isodesmic reactions and found that the energy component of substituent resonance effect is proportional to ÏRv. Thus the MESP approach enabled the definition to an electrostatic scale of substituent resonance effect.
Graphical abstractAn electrostatic scale to substituent resonance effects is proposed using molecular electrostatic potential and the reliability of electrostatic resonance constants (ÏRv) is corroborated by three sets of isodesmic reactions.Download full-size image
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Fareed Bhasha Sayyed, Cherumuttathu H. Suresh,