Theoretical and experimental evidence for a new type of spin-coupled singlet species: isomeric mixed-valence complexes with bridging radical anion ligands

Sarkar, Biprajit ; Patra, Srikanta ; Fiedler, Jan ; Sunoj, Raghavan B. ; Janardanan, Deepa ; Mobin, Shaikh M. ; Niemeyer, Mark ; Lahiri, Goutam Kumar ; Kaim, Wolfgang (2005) Theoretical and experimental evidence for a new type of spin-coupled singlet species: isomeric mixed-valence complexes with bridging radical anion ligands Angewandte Chemie, 44 (35). pp. 5655-5658. ISSN 0044-8249

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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/anie.20...

Related URL: http://dx.doi.org/10.1002/anie.200501075

Abstract

A unique kind of electronic structure (Mn+0.5) (μ-L-) (Mn+0.5), which was previously discussed only for metal–ligand charge-transfer (MLCT) excited states is established structurally and by quantum chemical analysis for both rac (see picture) and meso isomers - of [(μ-abpy) {Ru (acac)2}2] (abpy = 2,2'-azobispyridine, acac- = acetylacetonate).

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