Artículos de revistas
Magnetic Properties Of One-dimensional Cocu(opba) Systems And Dft Studies Of The Building Blocks
Registro en:
Journal Of Magnetism And Magnetic Materials. , v. 320, n. 14, p. e200 - e203, 2008.
3048853
10.1016/j.jmmm.2008.02.047
2-s2.0-42749089006
Autor
Pedroso E.F.
Pereira C.L.M.
dos Santos H.F.
de Oliveira L.F.C.
Nunes W.C.
Knobel M.
Stumpf H.O.
Institución
Resumen
The synthesis of one-dimensional, molecule-based magnets and the investigation of their structure and physical properties are described. The one-dimensional CoCu(opba) system, where opba [ortho-phenylenebis(oxamato)] bridges the metal ions resulted in antiferromagnetic coupling, and was studied by insertion of electron donating and electron withdrawing groups in the organic ligands' aromatic rings. In order to verify the influence of these modifications, three compounds of the formula [CoCu(opba-xy)], where x=y=CH3 (compound 1), x=y=Cl (compound 2), x=H and y=NO2 (compound 3) are described. The electronic structure of the oxamato bridge group has been studied using calculations at the density functional theory (DFT) level for [Cu(opba-xy)]2- building blocks. Magnetic measurements in polycrystalline samples showed ferrimagnetic behavior for the three compounds. Least-squares fits of the experimental data indicate antiferromagnetic couplings JCoCu of -35.0, -32.9 and -24.2 cm-1 for 1, 2 and 3, respectively. © 2008 Elsevier B.V. All rights reserved. 320 14 e200 e203 Pardo, E., Ruiz-Garcia, R., Lloret, F., Faus, J., Julve, M., Journaux, Y., Delgado, F., Ruiz-Perez, C., (2004) Adv. Chem. Mater., 16, p. 1597 Pardo, E., Ruiz-Garcia, R., Lloret, F., Faus, J., Julve, M., Journaux, Y., Novak, M.A., Ruiz-Perez, C., (2007) Chem. Eur. J., 13, p. 2054 Pereira, C.L.M., Pedroso, E.F., Stumpf, H.O., Novak, M.A., Ricard, L., Ruiz-Garcia, R., Rivière, E., Journaux, Y., (2004) Angew. Chem. Int. Ed., 43, p. 955 Vaz, M.G.F., Knobel, M., Speziali, N.L., Moreira, A.M., Alcantara, A.F.C., Stumpf, H.O., (2002) J. Braz. Chem. Soc., 13, p. 183 Pereira, C.L.M., Doriguetto, A.C., Konzen, C., Meira-Belo, L.C., Leitão, U.A., Fernandes, N.G., Brandl, A.L., Stumpf, H.O., (2005) Eur. J. Inorg. Chem., p. 5018 Fettouhi, M., Ouahab, L., Boukhari, A., Cador, O., Mathonière, C., Kahn, O., (1996) Inorg. Chem., 35, p. 4932 Kahn, O., (1993) Molecular Magnetism, , VCH, New York Koningsbruggen, P.J., Kahn, O., Nakatani, K., Pei, Y., Renard, J.P., Drillon, M., Legoll, P., (1990) Inorg. Chem., 29, p. 3325 J.A. Pople, et al., Gaussian Inc., Pittsburgh, PA, 2003Gillon, B., (2002) Magnetism Molecules to Materials I: Models and Experiments, p. 356. , Miller J.S., and Drillon M. (Eds), Wiley-VCH, Germany