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Boron-Doped Pentacenes: Isolation of Crystalline 5,12- and 5,7-Diboratapentacene Dianions

Joshua E. Barker, D. Akachukwu, Diane A. Dickie, Robert J. Gilliard

2023Journal of the American Chemical Society39 citationsDOI

Abstract

The syntheses, molecular structures, reactivities, and computational assessment of dipotassium diboratapentacene isomers are described ( 1 and 2 ). These compounds represent the first examples of aromatized diboraacenes where the boron atoms are spatially separated in different rings of the acene framework. Both 1 and 2 react with carbon dioxide (CO 2 ) via diastereoselective carboxylation of the pentacene backbone that likely proceeds by a frustrated Lewis pair-like mechanism. The placement of the boron atoms and the reactivity studies provide a platform for later stage functionalization of diboraacenes beyond the central ring of the polycyclic aromatic hydrocarbon core.

Topics & Concepts

ChemistryAcenePentaceneBoronReactivity (psychology)HydrocarbonBoranesLewis acids and basesCarboxylationCarbon fibersMoleculeComputational chemistryPhotochemistryStereochemistryOrganic chemistryCatalysisComposite materialMaterials scienceLayer (electronics)Thin-film transistorAlternative medicineComposite numberPathologyMedicineOrganoboron and organosilicon chemistrySynthesis and Properties of Aromatic CompoundsLuminescence and Fluorescent Materials
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