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Campo Dublin Core | Valor | Idioma |
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dc.contributor.author | Simões, Tatiana Renata Gomes | - |
dc.contributor.author | Pim, Walace D. do | - |
dc.contributor.author | Metz, Karina Carla | - |
dc.contributor.author | Ribeiro, Marcos Antônio | - |
dc.contributor.author | Valente, Daniel de Castro Araújo | - |
dc.contributor.author | Cardozo, Thiago Messias | - |
dc.contributor.author | Pinheiro, Carlos Basílio | - |
dc.contributor.author | Pedroso, Emerson Fernandes | - |
dc.contributor.author | Horta, Bruno Araújo Cautiero | - |
dc.contributor.author | Pereira, Cynthia Lopes Martins | - |
dc.contributor.author | Souza, Gilmar Pereira de | - |
dc.contributor.author | Stumpf, Humberto Osório | - |
dc.date.accessioned | 2021-12-13T21:30:28Z | - |
dc.date.available | 2021-12-13T21:30:28Z | - |
dc.date.issued | 2020 | pt_BR |
dc.identifier.citation | SIMÕES, T. R. G. et al. Dinuclear copper(II) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties and DFT calculations. New Journal of Chemistry, v. 6, p. 2597-2608, 2020. Disponível em: <https://pubs.rsc.org/en/content/articlelanding/2020/nj/c9nj05584c>. Acesso em: 10 jun. 2021. | pt_BR |
dc.identifier.issn | 1369-9261 | - |
dc.identifier.uri | http://www.repositorio.ufop.br/jspui/handle/123456789/14212 | - |
dc.description.abstract | Three dinuclear copper(II) complexes containing oxamate-based ligands with the chemical formula [Cu(opba)Cu(dap)(H2O)]H2O (1), [Cu(opba)Cu(dap-OH)(H2O)]1.5H2O (2), and [Cu(opba)Cu(en)(H2O)]·4H2O (3) in which opba = o-phenylenebis(oxamato), dap = 1,3- diaminopropane, dap-OH = 2-hydroxy-1,3-diaminopropane and en = ethylenediamine have been synthesized and their crystal structures have been determined by single-crystal X-ray diffraction. The molecular structures of 1-3 consist of neutral dicopper(II) complexes obtained by the "complex as ligand" strategy, in which each [Cu(opba]2‒ fragment acts as a bidentate ligand towards the copper(II) ion bonded to the amine capping ligands (dap, dap OH and en) and the two other carbonyl groups are uncoordinated. Variable-temperature magnetic susceptibility measurements of 1-3 in the temperature range of 4-300 K reveal a strong antiferromagnetic coupling between the metal centers through the oxamate bridge with J = −183.5 cm−1 (1); J = −195.8cm−1 (2), and J = −195.6 cm−1 (3). The fit of the variable-temperature magnetic susceptibility data of 3 revealed that coupling CuIICuII···CuIICuII between the dinuclear entities is very weak. In all cases, the Hamiltonian used was H = −JS1·S2. DFT calculations based on the broken-symmetry formalism were used to provide further insight and an explanation for the reported behavior. | pt_BR |
dc.language.iso | en_US | pt_BR |
dc.rights | restrito | pt_BR |
dc.subject | Molecular magnetism | pt_BR |
dc.subject | Supramolecular chemistry | pt_BR |
dc.title | Dinuclear copper(II) complexes containing oxamate and blocking ligands : crystal structure, magnetic properties and DFT calculations. | pt_BR |
dc.type | Artigo publicado em periodico | pt_BR |
dc.identifier.uri2 | https://pubs.rsc.org/en/content/articlelanding/2020/nj/c9nj05584c | pt_BR |
dc.identifier.doi | https://doi.org/10.1039/C9NJ05584C | pt_BR |
Aparece nas coleções: | DEQUI - Artigos publicados em periódicos |
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ARTIGO_DinuclearCopperComplexe.pdf Restricted Access | 6,94 MB | Adobe PDF | Visualizar/Abrir |
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