Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study
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...
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| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
1999
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| Acceso en línea: | Registro en Scopus Handle Registro en la Biblioteca Digital |
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| LEADER | 02813caa a22004097a 4500 | ||
|---|---|---|---|
| 001 | PAPER-19475 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518205049.0 | ||
| 008 | 190411s1999 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-0000948024 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a INOCA | ||
| 100 | 1 | |a Estiú, G. | |
| 245 | 1 | 0 | |a Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study |
| 260 | |c 1999 | ||
| 270 | 1 | 0 | |m Estiú, G.; CEQUINOR, Departamento de Quimica, Univ. Nacional de la Plata, La Plata (1900), Argentina |
| 506 | |2 openaire |e Política editorial | ||
| 504 | |a Stephenson, T.A., Wilkinson, G.J., (1966) J. Inorg. Nucl. Chem., 8, p. 2285 | ||
| 504 | |a Bennet, M.J., Caulton, K.G., Cotton, F.A., (1969) Inorg. Chem., 8, p. 1 | ||
| 504 | |a Aquino, M.A.S., (1998) Coord. Chem. Rev., 170, p. 141 | ||
| 520 | 3 | |a 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. |l eng | |
| 593 | |a CEQUINOR, Departamento de Quimica, Univ. Nacional de la Plata, La Plata (1900), Argentina | ||
| 593 | |a INQUIMAE, Depto. Quim. Inorg., Analitica Q.F., Ciudad Universitaria, Núñez, 1428, Argentina | ||
| 593 | |a Instituto de Ciencias, Univ. Nacional de General Sarmiento, Roca 850, 1663 San Miguel, Buenos Aires, Argentina | ||
| 593 | |a Lab. de Chimie de Coordination, Serv. de Chim. Inorg. et Biologique, CEA/Grenoble, 17 Rue des Martyrs, 38054 Grenoble, France | ||
| 593 | |a Lab. Spectrochimie Infrafouge Raman, CNRS, 2 Rue Henri Dunant, 94320 Thiais, France | ||
| 700 | 1 | |a Cukiernik, F.D. | |
| 700 | 1 | |a Maldivi, P. | |
| 700 | 1 | |a Poizat, O. | |
| 773 | 0 | |d 1999 |g v. 38 |h pp. 3030-3039 |k n. 13 |p Inorg. Chem. |x 00201669 |w (AR-BaUEN)CENRE-60 |t Inorganic Chemistry | |
| 856 | 4 | 1 | |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000948024&partnerID=40&md5=54b73618be08428ac37c45e83476ff97 |y Registro en Scopus |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00201669_v38_n13_p3030_Estiu |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00201669_v38_n13_p3030_Estiu |y Registro en la Biblioteca Digital |
| 961 | |a paper_00201669_v38_n13_p3030_Estiu |b paper |c PE | ||
| 962 | |a info:eu-repo/semantics/article |a info:ar-repo/semantics/artículo |b info:eu-repo/semantics/publishedVersion | ||
| 963 | |a VARI | ||
| 999 | |c 80428 | ||