dc.contributor.author |
García Raso, Ángel
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dc.contributor.author |
Albertí Aguiló, Francisca Maria
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dc.contributor.author |
Fiol Arbós, Juan Jesús
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dc.contributor.author |
Tasada Lozano, Andrés
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dc.contributor.author |
Barceló Oliver, Miquel
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dc.contributor.author |
Molins, Elies
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dc.contributor.author |
Estarellas Martín, Carolina.
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dc.contributor.author |
Frontera Beccaria, Antonio
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dc.contributor.author |
Quiñonero Santiago, David
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dc.contributor.author |
Deyà Serra, Pere Maria
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dc.date.accessioned |
2018-10-29T13:25:52Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/148322 |
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dc.description.abstract |
[eng] In this manuscript, we report the synthesis and the solid-state characterization of five new compounds based on the 2-aminopyrimidine building block. Some of them exhibit interesting anion-π interactions. In addition, we report a high level ab initio study of anion-π interactions involving 2-methylaminopyrimidine and its dimer. We demonstrate that these compounds are able to interact favorably with anions. The dimer of 2-methylaminopyrimidine interacts with the anion more strongly than the monomer due to cooperativity effects between the noncovalent hydrogen bonding and anion-π interactions. This pattern, that is, coexistence of hydrogen bonding and anion-π bonding, is observed experimentally in the solid state. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1021/cg801245g |
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dc.relation.ispartof |
Crystal Growth & Design, 2009, vol. 9, num. 5, p. 2363-2376 |
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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 |
2-Aminopyrimidine derivatives exhibiting anion-pi interactions: a combined crystallographic and theoretical study. |
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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 |
2018-10-29T13:25:53Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
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dc.embargo |
2075-01-01 |
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dc.subject.keywords |
X-ray structures |
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dc.subject.keywords |
anion-pi interaction |
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dc.subject.keywords |
2-aminopyrimidine moiety |
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dc.subject.keywords |
2-aminopyrimidine derivatives |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
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dc.identifier.doi |
https://doi.org/10.1021/cg801245g |
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