Class III Delocalization in a Cyanide‐Bridged Trimetallic Mixed‐Valence Complex |
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| Authors: | German E. Pieslinger Dr. Pablo Alborés Dr. Leonardo D. Slep Dr. Luis M. Baraldo |
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| Affiliation: | Departamento de Química Inorgánica, Analítica y Química Física, INQUIMAE‐CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón 2, 3° piso Ciudad Universitaria, C1428EHA, Buenos Aires (Argentina) |
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| Abstract: | ![]()
The NIR and IR spectroscopic properties of the cyanide‐bridged complex, trans‐[Ru(dmap)4{(μ‐CN)Ru(py)4Cl}2]3+ (py=pyridine, dmap=4‐dimethylaminopyridine) provide strong evidence that this trimetallic ion behaves as a Class III mixed‐valence species, the first example reported of a cyanide‐bridged system. This has been accomplished by tuning the energy of the fragments in the trimetallic complex to compensate for the intrinsic asymmetry of the cyanide bridge. Moreover, (TD)DFT calculations accurately predict the spectra of the trans‐[Ru(dmap)4{(μ‐CN)Ru(py)4Cl}2]3+ ion and confirms its delocalized nature. |
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| Keywords: | cyanometalates density functional calculations metal‐metal interactions mixed‐valence compounds ruthenium |
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