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First Structural Characterization of a Delocalized, Mixed-Valent, Triangular Cu<sub>3</sub><sup>7+</sup> Species: Chemical and Electrochemical Oxidation of a Cu<sup>II</sup><sub>3</sub>(μ<sub>3</sub>-O) Pyrazolate and Electronic Structure of the Oxidation Product

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The chemical or electrochemical one-electron oxidation of the all-CuII complex [Cu3(μ3-O)(μ-pz)3X3]2- leads to its formally CuII2CuIII analogue (pz = pyrazolato anion; X = Cl- and PhCOO-). The X-ray single-crystal structure and density functional theory analysis of the latter agree in revealing the delocalized nature of its mixed-valent Cu37+ core.

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2005-10-17
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