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

Abstract
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 on 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.