Supramolecular interactions through lone pair(lp)-π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N'-dimethylvioluric acid: A combined experimental and theoretical study

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dc.contributor.author Banik, Rupak
dc.contributor.author Roy, Suphadip
dc.contributor.author Bauza Riera, Antonio
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Rodríguez-Diéguez, Antonio
dc.contributor.author Salas, Juan M.
dc.contributor.author Kirillov, Alexander M.
dc.contributor.author Chowdhury, Shubhamoy
dc.contributor.author Das, Saroj Kr
dc.contributor.author Das, Subrata
dc.date.accessioned 2018-09-20T12:29:16Z
dc.identifier.uri http://hdl.handle.net/11201/147569
dc.description.abstract [eng] The reactivities of cobalt(II) and manganese(II) salts toward HDMV (N,N0-dimethylvioluric acid monohydrate) were studied. Reaction of cobalt(II) chloride hexahydrate with HDMV in water-methanol medium at pH = 8.0 led to the formation of a cobalt(III) complex [CoIII(DMV)3] 0.5H2O (1), whereas the interaction of manganese(II) chloride tetrahydrate with HDMV under similar reaction conditions afforded [MnII(H2O)6](DMV)2 (2). Dimethylviolurate anion behaves as a bidentate ligand in 1 and counteranion in 2. Both compounds were characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, cyclic voltammetry and thermogravimetric analysis. Presence of Co(III) in 1 indicates the aerial oxidation of the cobalt(II) precursor. In 1, Co(III) adopts a distorted octahedral [CoN3O3] coordination environment through bonding to the three dimethylviolurato anions. In 2, the [Mn(H2O)6]2+ cations and (DMV) anions are assembled by multiple hydrogen bonds into a complex 3D H-bonded network. It was analyzed from the topological viewpoint, disclosing a binodal 4,8-connected underlying net with the flu (fluorite) topology. Electrochemical studies reveal that the compounds undergo a quasi-reversible one electron metal centered redox process. DFT studies were carried out to analyze the supramolecular assemblies in the solid state structures, especially lone pair(lp)-p interactions in 1 and H-bonding network in 2.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1016/j.ica.2015.06.018
dc.relation.ispartof Inorganica Chimica Acta, 2015, vol. 435, p. 178-186
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Supramolecular interactions through lone pair(lp)-π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N'-dimethylvioluric acid: A combined experimental and theoretical study
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-09-20T12:29:16Z
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/10.1016/j.ica.2015.06.018


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