Elucidating the Oxygen-Activation Mechanism in Nonheme Mn <sup>II</sup> -, Fe <sup>II</sup> -, or Co <sup>II</sup> -Containing MOFs Mimicking Fe <sup>II</sup> /2-Oxoglutarate-Dependent Complexes
-oxyl complexes. The energy profiles further show that the formation of the key oxidizing intermediate is more favorable in the Fe and Mn systems than in the Co system. Overall, this work explains how changing the metal center affects oxygen activation in MOF-based enzyme mimics and highlights Mn as a more promising substitute for Fe than Co.
Authors
- Xi Zhang (ORCID: https://orcid.org/0000-0002-4638-3997)
- Ziyue Huang
- Yingqi Li (ORCID: https://orcid.org/0009-0008-0608-1506)
- Jiawei Xu
- Haiyan Wei (ORCID: https://orcid.org/0000-0001-6523-3524)
- Xi Chen (ORCID: https://orcid.org/0000-0002-2974-9977)
Institutions
- Nanjing Normal University (CN)
- University of Oxford (GB)
- Ministry of Education (IR)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2026-05-21
- DOI
- https://doi.org/10.1021/acs.inorgchem.6c00307
- Primary Topic
- Metal-Catalyzed Oxygenation Mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 0.00