A Redox-active Manganate(0) Dicarbene Metalloradical

24 August 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

We report a rare Mn0 metalloradical [Mn(CO)3(Ph2B(tBuNHC)2)]- (NHC = N-heterocyclic carbene) with countercations [K([2.2.2]cryptand)]+, [Na([2.2.2]cryptand)]+, or [Li(DME)(12-crown-4)]+, all characterized via single crystal X-ray diffraction. Structural, electrochemical, and computational analyses indicate that solvent and formal oxidation state modulate ligand-based arene binding to manganese.

Keywords

low-valent compounds
metalloradicals
N-heterocyclic carbenes

Supplementary materials

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Supporting Information
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Supporting Information, which includes General Comments, Syntheses, Spectra, and Electrochemistry Figures.
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DFT-computed structures
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xyz file with all DFT-computed structures, including energies in Hartrees.
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