Mimicking the Cu Active Site of Lytic Polysaccharide Monooxygenase Using Monoanionic Tridentate N-Donor Ligands

[Image: see text] In an effort to prepare small molecule mimics of the active site of lytic polysaccharide monooxygenase (LPMO), three monoanionic tridentate N donor ligands comprising a central deprotonated amide group flanked by two neutral donors were prepared, and their coordination chemistry with Cu(I) and Cu(II) was evaluated. With Cu(I), a dimer formed, which was characterized by X-ray crystallography and NMR spectroscopy. A variety of mononuclear and dinuclear Cu(II) species with a range of auxiliary ligands (MeCN, Cl(–), OH(–), OAc(–), OBz(–), CO(3)(2–)) were prepared and characterized by X-ray diffraction and various spectroscopies (UV–vis, EPR). The complexes exhibit structural similarities to the LPMO active site.