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Identifying a Terminal Nickel-Oxygen Complex Bearing an Unsymmetrical β‑Diketiminate Ligand
Si-Hong Chen1, Tzu-Hsien Yang1, Yu-Lun Chang1
1Department of Medicinal and Applied Chemistry, Drug Development and Value Creation Research Center, College of Life Sciences, Kaohsiung Medical University, Kaohsiung 80708, Taiwan.
Abstract:
Nickel-oxygen species are proposed as key intermediates in various biological nickel-containing catalytic and enzymatic processes. We report the successful synthesis and crystallographic characterization of the first terminal nickel-oxygen complex featuring a tridentate N-aryl-N'-methylpyridyl β-diketiminate ligand. This species can be formally classified as either a nickel-oxo (NiIII=O) or nickel-oxyl (NiII-O•) species, exhibiting dual bonding characteristics. The experimental observations and DFT calculations suggest the bonding is best described as a resonance hybrid of NiIII=O and NiII-O• states, with the NiII-O• form likely predominant.
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