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Please use this identifier to cite or link to this item: http://localhost:8080/xmlui/handle/123456789/713
Title: An electrostatic scale of substituent resonance effect
Authors: Sayyed, F B
Suresh, C H
Keywords: Intramolecular Interactions
Infrared Intensities
Hammett Constants
Density functional theory
Benzenes
Resonance effect
Molecular electrostatic potential
Isodesmic reactions
Substituent effects
Issue Date: 2009
Publisher: Elsevier
Citation: Tetrahedron Letters 50(52):7351–7354;30 Dec 2009
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.
URI: http://ir.niist.res.in:8080/jspui/handle/123456789/713
ISSN: 0040-4039
Appears in Collections:2009

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