An electrostatic scale of substituent resonance effect

dc.contributor.author	Sayyed, F B
dc.contributor.author	Suresh, C H
dc.date.accessioned	2013-11-11T09:04:10Z
dc.date.available	2013-11-11T09:04:10Z
dc.date.issued	2009
dc.identifier.citation	Tetrahedron Letters 50(52):7351–7354;30 Dec 2009	en_US
dc.identifier.issn	0040-4039
dc.identifier.uri	http://ir.niist.res.in:8080/jspui/handle/123456789/713
dc.description.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.	en_US
dc.language.iso	en	en_US
dc.publisher	Elsevier	en_US
dc.subject	Intramolecular Interactions	en_US
dc.subject	Infrared Intensities	en_US
dc.subject	Hammett Constants	en_US
dc.subject	Density functional theory	en_US
dc.subject	Benzenes	en_US
dc.subject	Resonance effect	en_US
dc.subject	Molecular electrostatic potential	en_US
dc.subject	Isodesmic reactions	en_US
dc.subject	Substituent effects	en_US
dc.title	An electrostatic scale of substituent resonance effect	en_US
dc.type	Article	en_US