dc.contributor.author |
Seth, Saikat Kumar
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dc.contributor.author |
Saha, Indranil
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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 |
Kar, Tanusree
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dc.contributor.author |
Mukhopadhyay, Subrata
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dc.date.accessioned |
2018-09-25T09:45:13Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/147640 |
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dc.description.abstract |
[eng] Mononuclear copper(II) and nickel(II) complexes, [(C5H6N2)Cu(IDA)(H2O)] (1) and (C5H7N2)2[Ni(IDA)2(H2O)] (2) [H2 IDA = iminodiacetic acid; C5H6N2 = 4-aminopyridine; C5H7N2 = protonated 2-aminopyridine], have been synthesized, and their crystal structures were solved using single crystal X-ray diffraction data. A detailed analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions, which are crucial in building different supramolecular architectures. Molecules are linked by a combination of N H3 3 3 O, O H3 3 3O and C H3 3 3O hydrogen bonds into two-dimensional framework, whose formation is readily analyzed in terms of substructures of lower dimensionality with zero finite zero-dimensional dimeric units as the building blocks within the structures. Moreover, the aromatic molecules that are engaged in lone pair 3 3 3 π interactions with the noncoordinated carbonyl moieties play a crucial role in stabilizing the self-assembly process observed for both complexes. Intricate combinations of hydrogen bonding, lone pair 3 3 3 π and π π interactions are fully described along with the computational studies. |
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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/cg200506q |
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dc.relation.ispartof |
Crystal Growth & Design, 2011, vol. 11, p. 3250-3265 |
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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 |
Supramolecular self-assembly of M-IDA complexes involving lone pair center dot center dot center dot pi interactions: crystal structures, Hirshfield surface analysis, and DFT calculations [H(2)IDA =iminodiacetic acid, M = Cu(II), Ni(II)] |
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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 |
2018-09-25T09:45:13Z |
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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.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
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dc.identifier.doi |
https://doi.org/10.1021/cg200506q |
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