A Theoretical Study of Aromaticity in Squaramide and Oxocarbons

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dc.contributor.author Quiñonero Santiago, David
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Ballester Balaguer, Pablo José
dc.contributor.author Deyà Serra, Pere Maria
dc.date.accessioned 2018-09-25T12:11:07Z
dc.identifier.uri http://hdl.handle.net/11201/147675
dc.description.abstract [eng] A systematic estimation of aromaticity in oxocarbon acids, their dianions, squaramide and its complex with the ammonium cation have been studied using structural and magnetic criteria. Results based on Nucleus Independent Chemical Shift (NICS) predict that deltic and squaric acids and their dianions are aromatic, while croconic and rhodizonic acids and their dianions are non-aromatic. Squaramide is less aromatic than its complex with the ammonium cation. Therefore, the gain in aromaticity in the squaramide ring is a possible explanation for the remarkable hydrogen bond acceptor character of squaramide.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1016/S0040-4039(00)00084-8
dc.relation.ispartof Tetrahedron Letters, 2000, vol. 41, p. 2001-2005
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title A Theoretical Study of Aromaticity in Squaramide and Oxocarbons
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-09-25T12:11:07Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess
dc.identifier.doi https://doi.org/10.1016/S0040-4039(00)00084-8

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