A theoretical study of aromaticity in squaramide complexes with anions

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dc.contributor.author Quiñonero, D.
dc.contributor.author Prohens, R.
dc.contributor.author Frontera, A.
dc.contributor.author Ballester, P.
dc.contributor.author Garau, C.
dc.contributor.author Costa, A.
dc.contributor.author Deyà, P.M.
dc.date.accessioned 2020-04-29T05:33:40Z
dc.identifier.uri http://hdl.handle.net/11201/152165
dc.description.abstract [eng] A systematic estimation of aromaticity in squaramide complexes with anions has been studied using structural and magnetic criteria. Results based on Nucleus Independent Chemical Shift (NICS) predict that squaramide is less aromatic than its complexes with several anions. We had previously observed the same behavior in squaramide complexes with cations. This bifunctionality can be used to design ditopic receptors. In fact a 1:1:1 complex between squaramide and both ammonium cation and formiate anion is more aromatic than any of the other two 1:1 squaramide-cation/anion complexes.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1016/S0009-2614(01)01295-7
dc.relation.ispartof Chemical Physics Letters, 2002, vol. 351, num. 1-2, p. 115-120
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title A theoretical study of aromaticity in squaramide complexes with anions
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2020-04-29T05:33:41Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2026-12-31
dc.embargo 2026-12-31
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess
dc.identifier.doi https://doi.org/10.1016/S0009-2614(01)01295-7

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