Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography

dc.contributor.author	Sayyed, F B
dc.contributor.author	Suresh, C H
dc.contributor.author	Gadre, S R
dc.date.accessioned	2014-03-25T09:17:48Z
dc.date.available	2014-03-25T09:17:48Z
dc.date.issued	2010
dc.identifier.citation	Journal of Physical Chemistry A 114(46):12330-12333;25 Nov 2010	en_US
dc.identifier.issn	1089-5639
dc.identifier.uri	http://ir.niist.res.in:8080/jspui/handle/123456789/1210
dc.description.abstract	Through-bond (TB) and through-space (TS) substituent effects in substituted alkyl, alkenyl, and alkynyl arenes are quantified separately using molecular electrostatic potential (MESP) topographical analysis. The deepest MESP point over the aromatic ring (V(min)) is considered as a probe for monitoring these effects for a variety of substituents. In the case of substituted alkyl chains, the TS effect (79.6%) clearly dominates the TB effect, whereas in the unsaturated analogues the TB effect (similar to 55%) overrides the TS effect.	en_US
dc.language.iso	en	en_US
dc.publisher	American Chemical Society	en_US
dc.subject	Resonance	en_US
dc.subject	Quantitative assessment	en_US
dc.subject	Benzenes	en_US
dc.title	Appraisal of through-bond and through-space substituent effects via molecular electrostatic potential topography	en_US
dc.type	Article	en_US