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Mononuclear Cu/O2 Complexes: Geometries, Spectroscopic Properties, Electronic Structures, and Reactivity

Cramer, C. J.; Tolman, W. B.
Acc. Chem. Res. 2007, 40, 601

Using interwoven experimental and theoretical methods, detailed studies of several structurally defined 1:1 Cu/O2 complexes have provided important fundamental chemical information useful for understanding the nature of intermediates involved in aerobic oxidations in synthetic and enzymatic copper-mediated catalysis. In particular, these studies have shed new light onto the factors that influence the mode of O2 coordination (end-on vs. side-on) and the electronic structure, which can vary between Cu(II)-superoxo and Cu(III)-peroxo extremes

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