| Texto completo | |
| Autor(es): |
Reis, Natalia V.
;
Barros, Wdeson P.
;
Oliveira, Willian X. C.
;
Pereira, Cynthia L. M.
;
Rocha, Willian R.
;
Pinheiro, Carlos B.
;
Lloret, Francesc
;
Julve, Miguel
;
Stumpf, Humberto O.
Número total de Autores: 9
|
| Tipo de documento: | Artigo Científico |
| Fonte: | European Journal of Inorganic Chemistry; v. N/A, n. 3-4, p. 8-pg., 2018-01-31. |
| Resumo | |
This work discusses a new heterobimetallic nickel(II)copper-(II) complex of the formula [Ni(tpa) Cu(opba)](2)center dot 6H(2)O (1) {H(4)opba = N, N'-1,2-phenylenebis(oxamic acid) and tpa = tris(2-pyridylmethyl)amine}. The molecular structure of 1 consists of neutral tetranuclear species with a 4R rack-type architecture featuring two (NiCuII)-Cu-II dinuclear units connected through two out-of-plane oxo(carboxylate-oxamate) atoms from the opba ligands. The crystal packing of 1 exhibits a supramolecular 1D arrangement of tetranuclear entities connected by hydrogen bonds and pi-pi stacking interactions. The dc magnetic properties of 1 were interpreted according to its dimer-of-dimer structure; the spin Hamiltonian being defined as {H = -J[S-Ni1 center dot S-Cu1 + S-Ni1i center dot S(Cu1)i - j(eff)(S-Cu1 center dot S-Cu1i)]}. The analysis of the magnetic data shows the occurrence of a strong intradimer antiferromagnetic coupling between the Ni-II and Cu-II ions [J = -115.2(4) cm(-1)] and a weak interdimer antiferromagnetic coupling between the Cu-II ions [j(eff) = -1.12(7) cm(-1)]. DFT-type calculations were performed to visualize the exchange pathway through the oxamate bridge and substantiate the value of J. (AU) | |
| Processo FAPESP: | 15/22379-7 - Sistemas magnéticos moleculares multifuncionais: preparação e estudo das propriedades magnéticas, luminescentes e fotorreativas de complexos polinucleares contendo íons metálicos de transição e lantanídeos |
| Beneficiário: | Wdeson Pereira Barros |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |