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Solvent effects on electrophilicity

Authordc.contributor.authorPérez, P. 
Authordc.contributor.authorToro Labbé, Alejandro 
Authordc.contributor.authorContreras Ramos, Renato 
Admission datedc.date.accessioned2018-12-20T15:13:11Z
Available datedc.date.available2018-12-20T15:13:11Z
Publication datedc.date.issued2001
Cita de ítemdc.identifier.citationJournal of the American Chemical Society, Volumen 123, Issue 23, 2018, Pages 5527-5531
Identifierdc.identifier.issn00027863
Identifierdc.identifier.other10.1021/ja004105d
Identifierdc.identifier.urihttp://repositorio.uchile.cl/handle/2250/158533
Abstractdc.description.abstractContinuum solvent effect on the electrophilicity index recently proposed by Parr and co-workers (Parr, R. G.; von Szentpaly, L.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922) is discussed in detail. Solvent effect is introduced using the self-consistent isodensity polarized continuum model (SCI-PCM). A linear relationship is found between the change in electrophilicity index and the solvation energy as represented in the frame of the reaction field theory. The effect of a polarizable environment on the global electrophilicity is examined for a series of 18 well-known electrophiles presenting a wide diversity in structure and bonding properties. It is found that solvation enhances the electrophilicity power of neutral electrophilic ligands but attenuates this power in charged and ionic electrophiles.
Lenguagedc.language.isoen
Publisherdc.publisherAmerican Chemical Society
Type of licensedc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
Link to Licensedc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
Sourcedc.sourceJournal of the American Chemical Society
Keywordsdc.subjectCatalysis
Keywordsdc.subjectChemistry (all)
Keywordsdc.subjectBiochemistry
Keywordsdc.subjectColloid and Surface Chemistry
Títulodc.titleSolvent effects on electrophilicity
Document typedc.typeArtículo de revista
Catalogueruchile.catalogadorSCOPUS
Indexationuchile.indexArtículo de publicación SCOPUS
uchile.cosechauchile.cosechaSI


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Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Chile