Journal
INORGANIC CHEMISTRY
Volume 45, Issue 10, Pages 3990-3997Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic052180p
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Chemical oxidation of [Ru-2(6+)(3,6-DTBCat)(4)](2-) affords [n-Bu4N][Ru-2(3,6-DTBDiox)(4)]center dot acetone (2 center dot acetone). The oxidized species was characterized by X-ray crystallographic analysis and EPR, and the delocalization of the unpaired electron over the entire molecule was indicated. This example showed that the utilization of redox-active ligands into a Ru-2 complex expanded the degree of freedom in the electronic structure. DFT calculations support this view, and the spin population was estimated to be approximately 18% and 82% for the Ru-2 core and the four dioxolene ligands, respectively.
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