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Class III Delocalization in a Cyanide‐Bridged Trimetallic Mixed‐Valence Complex
Author(s) -
Pieslinger German E.,
Alborés Pablo,
Slep Leonardo D.,
Baraldo Luis M.
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201307025
Subject(s) - delocalized electron , cyanide , valence (chemistry) , chemistry , crystallography , class (philosophy) , electron delocalization , inorganic chemistry , computer science , organic chemistry , artificial intelligence
The NIR and IR spectroscopic properties of the cyanide‐bridged complex, tran s‐[Ru(dmap) 4 {(μ‐CN)Ru(py) 4 Cl} 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 tran s‐[Ru(dmap) 4 {(μ‐CN)Ru(py) 4 Cl} 2 ] 3+ ion and confirms its delocalized nature.