| Texto completo | |
| Autor(es): |
Aguirre-Araque, Juan S.
;
Rocha, Reginaldo C.
;
Toma, Henrique E.
Número total de Autores: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Journal of Coordination Chemistry; v. 71, n. 11-13, p. 13-pg., 2018-01-01. |
| Resumo | |
In the mixed-valence complex [Ru-III(NH3)(5)(-dpypn)Fe-II(CN)(5)] with the flexible bridging ligand 1,3-di(4-pyridyl)propane (dpypn), electrostatic interactions between the {Ru(NH3)(5)}(3+) and {Fe(CN)(5)}(3-) moieties drive a strong bending of dpypn and approximation of the Ru-III and Fe-II centers, from which the enhanced electronic coupling between metal ions produces an intense intervalence-transfer absorption in the near-infrared region. Density functional theory calculations corroborate both the electrostatic bending in this heterobinuclear complex and a linear geometry in the homobinuclear counterparts [Ru(NH3)(5)(-dpypn)Ru(NH3)(5)](5+) and [Fe(CN)(5)(-dpypn)Fe(CN)(5)](5-), for which no evidence of electronic coupling was found because of the separation between metal centers. Furthermore, the heterobinuclear species formed an inclusion complex with -cyclodextrin where the imposed linear geometry prevents significant electronic coupling and intervalence charge transfer between the Ru-III and Fe-II centers. [GRAPHICS] . (AU) | |
| Processo FAPESP: | 13/24725-4 - Química supramolecular e nanotecnologia |
| Beneficiário: | Henrique Eisi Toma |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |