Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis

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dc.contributor.author Das, Amrita
dc.contributor.author Choudhury, Somnath Ray
dc.contributor.author Estarellas Martín, Carolina
dc.contributor.author Dey, Biswajit
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Hemming, Joanna
dc.contributor.author Helliwell, Madeleine
dc.contributor.author Gamez, Patrick
dc.contributor.author Mukhopadhyay, Subrata
dc.date.accessioned 2018-09-25T10:02:11Z
dc.identifier.uri http://hdl.handle.net/11201/147646
dc.description.abstract [eng] Two nickel(II) malonate coordination compounds, namely (C5H7N2)4[Ni(C3H2O4)2(H2O)2](ClO4)2 (1) and (C5H7N2)4[Ni(C3H2O4)2(H2O)2](PF6)2 (2) [where C5H7N2 ¼ protonated 2-aminopyridine, C3H4O4 ¼ malonic acid, ClO4 ¼ perchlorate, PF6 ¼ hexafluoridophosphate], have been synthesized from purely aqueous media, and their single-crystal structures have been determined by X-ray diffraction. As anticipated, various weak forces, i.e. lone pair-p, p-p and anion-p interactions, play a key role in stabilizing the self-assembly process observed for both compounds. Intricate combinations of lone pair-p, p-p and anion-p interactions of the type lone pair-p/p-p/p-anion-p/p-lone pair and lone pair-p/p-p/p-anion are observed that are fully described, including by computational methods. The theoretical calculations allow estimating the strength of these p contacts.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1039/c0ce00593b
dc.relation.ispartof Crystengcomm, 2011, vol. 13, num. 14, p. 4519-4527
dc.rights (c) Das, Amrita et al., 2011
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Supramolecular assemblies involving anion-pi and lone pair-pi interactions: experimental observation and theoretical analysis
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-09-25T10:02:11Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess
dc.identifier.doi https://doi.org/10.1039/c0ce00593b


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