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