dc.contributor.author |
Quiñonero, D.
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dc.contributor.author |
Frontera, A.
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dc.contributor.author |
Escudero, D.
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dc.contributor.author |
Ballester, P.
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dc.contributor.author |
Costa, A.
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dc.contributor.author |
Deyà, P.M.
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dc.date.accessioned |
2020-04-29T08:31:09Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/152174 |
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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). |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1007/s00214-008-0416-9 |
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dc.relation.ispartof |
Theoretical Chemistry Accounts, 2008, vol. 120, num. 4-6, p. 385-393 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
MP2 Study of Synergistic Effects Between X-H/pi (X=C,N,O) and pi-pi Interactions |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2020-04-29T08:31:09Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2026-12-31 |
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dc.embargo |
2026-12-31 |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
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dc.identifier.doi |
https://doi.org/10.1007/s00214-008-0416-9 |
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