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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/49186
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dc.creatorWillian Xerxes Coelho Oliveirapt_BR
dc.creatorCarlos Basílio Pinheiropt_BR
dc.creatorMarinez Maciel da Costapt_BR
dc.creatorAna Paula Soares Fontespt_BR
dc.creatorWallace Castro Nunespt_BR
dc.creatorFrancesc Lloretpt_BR
dc.creatorMiguel Julvept_BR
dc.creatorCynthia Lopes Martins Pereirapt_BR
dc.date.accessioned2023-01-27T14:13:54Z-
dc.date.available2023-01-27T14:13:54Z-
dc.date.issued2016-
dc.citation.volume16pt_BR
dc.citation.issue7pt_BR
dc.citation.spage4094pt_BR
dc.citation.epage4107pt_BR
dc.identifier.doihttps://doi.org/10.1021/acs.cgd.6b00613pt_BR
dc.identifier.issn1528-7505pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/49186-
dc.description.resumoThis work deals with the crystal engineering features of four related copper(II)-based compounds with formulas {[{Cu(bpca)}2(H2ppba)]·1.33DMF·0.66DMSO}n (2), [{Cu(bpca)(H2O)}2(H2ppba)] (3), [{Cu(bpca)}2(H2ppba)]·DMSO (4), and [{Cu(bpca)}2(H2ppba)]·6H2O (5) [H4ppba = N,N′-1,4-phenylenebis(oxamic acid) and Hbpca = bis(2-pyridylcarbonyl)amide] and how their distinct molecular and crystal structures translate into their different magnetic properties. 2 and 3 were obtained through the hydrolytic reaction of the double-stranded oxamato-based dipalladium(II) paracyclophane precursor of formula [{K4(H2O)2}{Pd2(ppba)2}] (1) with the mononuclear copper(II) complex [Cu(bpca)(H2O)2]+, either in a water–DMSO–DMF solvent mixture or in water, respectively. The straightforward reaction of the neutral H4ppba molecule with [Cu(bpca)(H2O)2]+ in a water–DMSO mixture afforded compound 4, whereas compound 5 resulted from the reaction between the copper(II) complex and the K2ppba salt in water. The [Pd2(ppba)2]4– tetraanionic unit which is present in 1 has a [3,3] metallacyclophane-type motif connected by two N–Pd–N bonds. This entity acts as a ligand toward partially hydrated potassium(I) cations through its outer oxamate oxygens leading to a neutral three-dimensional network. The structure of 2 consists of neutral chains made up of double oxo(carboxylate-oxamate)-bridged di[{bis(2-pyridylcarbonyl)amidate}copper(II)] units are which connected by the extended H2ppba2– ligand, each of its oxamate fragments adopting a bidentate/outer monodentate coordination mode. Compounds 2–5 are neutral and centrosymmetric dicopper(II) complexes which have in common the presence of peripheral bpca ligands and H2ppba²– as a bridge with each of its monoprotonated oxamate groups exhibiting rare monodentate (3) and bis-bidentate (4 and 5) coordination modes. Compounds 2, 4, and 5 share the same basic [{Cu(bpca)}2(H2ppba)] unit, but besides the difference in the cocrystallization solvent molecules and synthetic strategies, they feature very different crystal structures. To better understand the role of palladium(II) ions in the formation of 2 and 3, some studies were carried out using different mixtures of solvents such as water, DMSO, and DMF which revealed a major importance of DMF in the formation of 2 and the dependence on the palladium(II) ions in the formation of 3. A reaction pathway leading to the formation of 2 and 3 is then proposed. The variable-temperature (2.0–300 K) magnetic susceptibility measurements of 2, 4, and 5 revealed the occurrence of weak ferro- [J = +0.70 cm–¹ (2)] and antiferromagnetic interactions [J = −0.90 (4) and −0.79 cm–¹ (5)], the spin Hamiltonian being defined as H = −JS1·S2. The different nature and strength of the magnetic coupling along this unique series of compounds are discussed in the light of the structural data, and they are compared with those of related dicopper(II) systems.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipOutra Agênciapt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE QUÍMICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofCrystal Growth & Designpt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectIonspt_BR
dc.subjectLigandspt_BR
dc.subjectMoleculespt_BR
dc.subjectPalladiumpt_BR
dc.subjectSolventspt_BR
dc.subject.otherPropriedades magnéticaspt_BR
dc.subject.otherCristalografia de raio Xpt_BR
dc.subject.otherCristaispt_BR
dc.subject.otherCompostos de cobrept_BR
dc.subject.otherSolventespt_BR
dc.subject.otherPaládiopt_BR
dc.subject.otherÍons metálicospt_BR
dc.titleCrystal engineering applied to modulate the structure and magnetic properties of oxamate complexes containing the [Cu(bpca)]+ cationpt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://pubs.acs.org/doi/10.1021/acs.cgd.6b00613pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-0722-5352pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-8674-1779pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-9908-2098pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-9006-8268pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-3799-8092pt_BR
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