Identifying a Terminal Nickel–Oxygen Complex Bearing an Unsymmetrical β-Diketiminate Ligand
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.
Authors
- M.-H. Tsai (ORCID: https://orcid.org/0000-0003-2510-2866)
- Sihong Chen (ORCID: https://orcid.org/0000-0002-3715-9520)
- Chuan‐Hung Chuang
- Cheng‐Han Yang (ORCID: https://orcid.org/0000-0001-7517-3799)
- Hsing‐Yin Chen (ORCID: https://orcid.org/0000-0003-3948-8915)
- Wei‐Syuan Lin
- Sodio C. N. Hsu (ORCID: https://orcid.org/0000-0002-2576-7289)
- Tzu-Hsien Yang (ORCID: https://orcid.org/0000-0002-4360-8214)
- Yu-Lun Chang (ORCID: https://orcid.org/0000-0001-7085-5926)
Institutions
- National Sun Yat-sen University (TW)
- Kaohsiung Medical University (TW)
- International Drug Development (FR)
Publication Details
- Journal
- JACS Au
- Published
- 2026-05-08
- DOI
- https://doi.org/10.1021/jacsau.6c00356
- Primary Topic
- Metal-Catalyzed Oxygenation Mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Kaohsiung Medical University
- National Science and Technology Council