A combined experimental and theoretical study of anion-pi interactions in bis(pyrimidine) salts

García-Raso, A.; Albertí, F.; Fiol, J.; Tasada, A.; Barceló-Oliver, M.; Molins, E.; Escudero, D.; Frontera, A.; Quiñonero, D.; Deyà, P.

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dc.contributor.author	García-Raso, A.
dc.contributor.author	Albertí, F.
dc.contributor.author	Fiol, J.
dc.contributor.author	Tasada, A.
dc.contributor.author	Barceló-Oliver, M.
dc.contributor.author	Molins, E.
dc.contributor.author	Escudero, D.
dc.contributor.author	Frontera, A.
dc.contributor.author	Quiñonero, D.
dc.contributor.author	Deyà, P.
dc.date.accessioned	2020-04-29T08:32:39Z
dc.identifier.uri	http://hdl.handle.net/11201/152175
dc.description.abstract	[eng] We report the synthesis and X‐ray characterization of an N,N′‐tetramethylenebis(2‐aminopyrimidinium) tetrafluoroborate salt that exhibits anion-π interactions that are responsible for the crystal packing. The anion forms a sandwich complex with two pyrimidine rings. When the anion is nitrate, the crystal packing is governed by anion-π interactions and hydrogen bonds, and the sandwich complex is not formed. Finally, a theoretical study of the anion-π interactions in charged pyrimidine rings is in good agreement with the experimental findings. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007).
dc.format	application/pdf
dc.relation.isformatof	Versió preprint del document publicat a: https://doi.org/10.1002/ejoc.200700809
dc.relation.ispartof	European Journal of Organic Chemistry, 2007, vol. 2007, num. 35, p. 5821-5825
dc.rights	(c) Wiley-VCH Verlag GmbH & Co. KGaA, 2007
dc.subject.classification	54 - Química
dc.subject.other	54 - Chemistry. Crystallography. Mineralogy
dc.title	A combined experimental and theoretical study of anion-pi interactions in bis(pyrimidine) salts
dc.type	info:eu-repo/semantics/article
dc.type	info:eu-repo/semantics/submittedVersion
dc.date.updated	2020-04-29T08:32:39Z
dc.date.embargoEndDate	info:eu-repo/date/embargoEnd/2026-12-31
dc.embargo	2026-12-31
dc.subject.keywords	Molecular Recognition
dc.subject.keywords	Pi interactions
dc.subject.keywords	Ab initio calculations
dc.subject.keywords	Noncovalent Interactions
dc.rights.accessRights	info:eu-repo/semantics/embargoedAccess
dc.identifier.doi	https://doi.org/10.1002/ejoc.200700809