dc.contributor.author |
Saha, Sandeepta
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dc.contributor.author |
Sasmal, Ashok
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dc.contributor.author |
Pilet, Guillaume
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dc.contributor.author |
Bauzá Riera, Antonio
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dc.contributor.author |
Frontera Beccaria, Antonio
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dc.contributor.author |
Mitra, Samiran
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dc.date.accessioned |
2018-09-26T12:23:29Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/147758 |
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dc.description.abstract |
[eng] A novel type of NO⋯NO supramolecular interaction is reported for the first time. Three new polymeric coordination complexes, two nickel(II) complexes, {[Ni(μ-L1)2(NCS)2]}n, (1) {[Ni(μ-L2)2(NCS)2]}n, (2) and a cobalt(II) complex {[Co(μ-L3)2(NCS)2]}n (3) have been synthesized with the organic ligand α,ω- bis(benzotriazoloxy)alkane (L1 = 1,3-bis(benzotriazol-1-yl)-1,3-dioxapropane; L2 = 1,5-bis (benzotriazol-1- yl)-1,5-dioxapentane; L3 = 1,6-bis(benzotriazol-1-yl)-1,6-dioxahexane) and thiocyanate as counterions. The complexes were characterized by various physical measurements such as elemental analysis, FT-IR, UV-Vis, NMR and mass spectroscopy. The single crystal X-ray analysis revealed that complexes 1 and 2 have a 1D coordination polymer helical structure whereas complex 3 has a 2D polymer anti corrugate structure. Complexes 2 and 3 were found to be involved in packing in the crystal structures by a very unusual anti-parallel strong NO⋯NO interaction. In addition, the π-acidity of the triazole ring moiety increased upon the coordination of the Ni ion which led to the establishment of lone pair-π (lp-π) interactions. Moreover, all of the complexes show different intermolecular interactions (H-bonds, π-π, lone pair-π and anti-parallel NO⋯NO) whose energetics and role in the crystal packing have been evaluated with theoretical DFT calculations. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1039/C3CE41765D |
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dc.relation.ispartof |
Crystengcomm, 2014, vol. 16, p. 654-666 |
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dc.rights |
(c) Saha, Sandeepta et al., 2014 |
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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 |
Unusual Nitrosyl¿Nitrosyl Interaction in Coordination Polymers of Ni(II) and Co(II) Complexes with α,ω-bis(benzotriazoloxy)alkane System |
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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 |
2018-09-26T12:23:29Z |
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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/10.1039/C3CE41765D |
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