Synthesis and characterization of iron clusters with an icosahedral [Fe@Fe] Core.

Natl Sci Rev

Jiangsu Collaborative Innovation Center of Biomedical Functional Materials and Jiangsu Key Laboratory of New Power Batteries, School of Chemistry and Materials Science, Nanjing Normal University, Nanjing 210023, China.

Published: April 2024

Iron-metal clusters are crucial in a variety of critical biological and material systems, including metalloenzymes, catalysts, and magnetic storage devices. However, a synthetic high-nuclear iron cluster has been absent due to the extreme difficulty in stabilizing species with direct iron-iron bonding. In this work, we have synthesized, crystallized, and characterized a (Tp*)WS(Fe@Fe) cluster (Tp* = tris(3,5-dimethyl-1-pyrazolyl)borate(1-)), which features a rare trideca-nuclear, icosahedral [Fe@Fe] cluster core with direct multicenter iron-iron bonding between the interstitial iron (Fe) and peripheral irons (Fe), as well as Fe···Fe ferromagnetic coupling. Quantum chemistry studies reveal that the stability of the cluster arises from the 18-electron shell-closing of the [Fe@Fe] core, assisted by its bonding interactions with the peripheral tridentate [(Tp*)WS] ligands which possess both S→Fe donation and spin-polarized Fe-W σ bonds. The ground-state electron spin is theoretically predicted to be S = 32/2 for the cluster. The existence of low oxidation-state (OS ∼ +1.23) iron in this compound may find interesting applications in magnetic storage, spintronics, redox chemistry, and cluster catalysis.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10939364PMC
http://dx.doi.org/10.1093/nsr/nwad327DOI Listing

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