Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes

dc.contributor.author	Bauza Riera, Antonio
dc.contributor.author	Deyà Serra, Pere Maria
dc.contributor.author	Frontera Beccaria, Antonio
dc.contributor.author	Quiñonero Santiago, David
dc.date.accessioned	2018-09-20T07:04:51Z
dc.date.available	2018-09-20T07:04:51Z
dc.identifier.uri	http://hdl.handle.net/11201/147519
dc.description.abstract	[eng] The controversial proposal that substituent effects in cation-p interactions can be attributed mainly to electrostatic effects between the ion and local dipoles has been theoretically studied by analyzing 171 aromatics interacting with Na+. Our results stress the importance of both electrostatic and p-polarization effects to properly describe cation-p interactions
dc.format	application/pdf
dc.relation.isformatof	Versió postprint del document publicat a: https://doi.org/10.1039/C3CP54147A
dc.relation.ispartof	Physical Chemistry Chemical Physics, 2014, vol. 16, num. 4, p. 1322-1326
dc.rights	(c) Bauza Riera, Antonio et al., 2014
dc.subject.classification	Química
dc.subject.other	Chemistry
dc.title	Substituent Effects in Cation/pi Interactions Revisited: A General Approach from Intrinsic Properties of the Arenes
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/acceptedVersion
dc.date.updated	2018-09-20T07:04:52Z
dc.rights.accessRights	info:eu-repo/semantics/openAccess
dc.identifier.doi	https://doi.org/10.1039/C3CP54147A