A theoretical study of aromaticity in squaramide complexes with anions

Quiñonero, D.; Prohens, R.; Frontera, A.; Ballester, P.; Garau, C.; Costa, A.; Deyà, P.M.

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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