title: 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-O 2 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 O 2 coordination (end-on vs side-on) and the electronic structure, which can vary between Cu(II)-superoxo and Cu(III)-peroxo extremes.
authors: Department of Chemistry, Supercomputer Institute, and Center for Metals in Biocatalysis, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55410, USA. cramer@chem.umn.edu
authors: Christopher J
authors: CJ
authors: Cramer
authors: William B
authors: WB
authors: Tolman
mesh_terms: D002384:Catalysis; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008024:Ligands; D008958:Models, Molecular; D010084:Oxidation-Reduction; D010100:Oxygen / Q000737:chemistry*; D013057:Spectrum Analysis; D013329:Structure-Activity Relationship
chemical_list: D008024:Ligands; D003300:Copper; D010100:Oxygen