Theoretical perspective on mononuclear copper-oxygen mediated C–H and O–H activations: A comparison between biological and synthetic systems

Dioxygen activations constitute one of core issues in copper-dependent metalloenzymes. Upon O2 activation, metalloenzymes such as particulate methane monooxygenases (pMMOs), lytic polysaccharide (LPMOs) and binuclear copper enzymes PHM DβM, are able to perform various challenging C–H bond activations. Meanwhile, copper-oxygen containing complexes have been synthetized mimic the active species activation by mononuclear site may generate intermediates, including Cu(II)-superoxo, Cu(II)-hydroperoxo, Cu(II)-oxyl well Cu(III)-hydroxide species. Intriguingly, all these invoked potential intermediates for C–H/O–H either biological or synthetic systems. Due poor understanding on reactivities complex, nature both systems highly controversial. In this account, we will compare between The present study is expected provide consistent