Institutional Repository

Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies

Show simple item record

dc.contributor.author Mirzaei, M.
dc.contributor.author Eshtiagh-Hosseini, H.
dc.contributor.author Mohammadi Abadeh, M.
dc.contributor.author Chahkandi, M.
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Hassanpoor, Azam
dc.date.accessioned 2018-10-09T10:24:27Z
dc.identifier.uri http://hdl.handle.net/11201/148006
dc.description.abstract [eng] To investigate the effect of counterions on crystalline networks, we have designed and synthesized a series of HgII complexes, [Hg(8-aq)Cl2] (1), [Hg(8-aq)Br2] (2) and [Hg5(8-aq)2I10]n (3), via a reaction between 8-aminoquinoline (8-aq) with HgX2 (X = Cl, Br, I). They have been characterized by elemental analyses, IR, 1H- and 13C-NMR spectroscopy and two of the compounds (X = Br and I) have been structurally determined by single crystal X-ray diffraction analysis. These studies revealed that compound 2 is mononuclear with the metal centre exhibiting a distorted tetragonal geometry while compound 3 is a one-dimensional coordination polymer where the bridging iodide ligands and the metal centres exhibit distorted tetragonal and octahedral geometries. The non-covalent interactions responsible for the crystalline network of 2 and 3 have been studied using theoretical methods by means of dispersioncorrected density functional theory (DFT-D) calculations. The binding energies associated with the different non-covalent interactions indicate hydrogen bonds, stacking and X X interactions govern the network formation of complexes 2 and 3.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1039/C2CE26658J
dc.relation.ispartof Crystengcomm, 2013, vol. 15, p. 1404-1413
dc.rights (c) Mirzaei, M. et al., 2013
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-10-09T10:24:27Z
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/C2CE26658J


Files in this item

This item appears in the following Collection(s)

Show simple item record

Search Repository


Advanced Search

Browse

My Account

Statistics