Artículo
Estiú, G.; Cukiernik, F.D.; Maldivi, P.; Poizat, O. "Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study" (1999) Inorganic Chemistry. 38(13):3030-3039
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Abstract:
The electronic structure of binuclear diruthenium tetracarboxylates, in both the divalent Ru2II,II(O2CR)4 and the mixed-valent Ru2II,III(O2CR)4X (X = anion) states is studied by means of ZINDO/S-MRCI and DFT calculations. Both methods predict a (π*)2(δ*)2 ground-state configuration for the divalent species, contrary to the (π*)3(δ*)1 previously predicted by SCF-Xα calculations, but in agreement with magnetic measurements that show a strong Zero Field Splitting. © 1999 American Chemical Society.
Registro:
| Documento: | Artículo |
| Título: | Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study |
| Autor: | Estiú, G.; Cukiernik, F.D.; Maldivi, P.; Poizat, O. |
| Filiación: | CEQUINOR, Departamento de Quimica, Univ. Nacional de la Plata, La Plata (1900), Argentina INQUIMAE, Depto. Quim. Inorg., Analitica Q.F., Ciudad Universitaria, Núñez, 1428, Argentina Instituto de Ciencias, Univ. Nacional de General Sarmiento, Roca 850, 1663 San Miguel, Buenos Aires, Argentina Lab. de Chimie de Coordination, Serv. de Chim. Inorg. et Biologique, CEA/Grenoble, 17 Rue des Martyrs, 38054 Grenoble, France Lab. Spectrochimie Infrafouge Raman, CNRS, 2 Rue Henri Dunant, 94320 Thiais, France |
| Año: | 1999 |
| Volumen: | 38 |
| Número: | 13 |
| Página de inicio: | 3030 |
| Página de fin: | 3039 |
| Título revista: | Inorganic Chemistry |
| Título revista abreviado: | Inorg. Chem. |
| ISSN: | 00201669 |
| CODEN: | INOCA |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu |
Referencias:
- Stephenson, T.A., Wilkinson, G.J., (1966) J. Inorg. Nucl. Chem., 8, p. 2285
- Bennet, M.J., Caulton, K.G., Cotton, F.A., (1969) Inorg. Chem., 8, p. 1
- Aquino, M.A.S., (1998) Coord. Chem. Rev., 170, p. 141
Citas:
---------- APA ----------
Estiú, G., Cukiernik, F.D., Maldivi, P. & Poizat, O. (1999) . Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study. Inorganic Chemistry, 38(13), 3030-3039.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu [ ]
---------- CHICAGO ----------
Estiú, G., Cukiernik, F.D., Maldivi, P., Poizat, O. "Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study" . Inorganic Chemistry 38, no. 13 (1999) : 3030-3039.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu [ ]
---------- MLA ----------
Estiú, G., Cukiernik, F.D., Maldivi, P., Poizat, O. "Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study" . Inorganic Chemistry, vol. 38, no. 13, 1999, pp. 3030-3039.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu [ ]
---------- VANCOUVER ----------
Estiú, G., Cukiernik, F.D., Maldivi, P., Poizat, O. Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study. Inorg. Chem. 1999;38(13):3030-3039.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu [ ]
