The Journal of Organic Chemistry · 2022 · 37 citations · 29 references
Natural SciencesChemical EngineeringChemistryCatalysisOrganic ChemistryReaction EngineeringCatalyst DesignCatalyst PreparationCatalyst SynthesisCatalytic MechanismsCatalytic Reaction EngineeringRadical ReactionsAtom Transfer CatalysisCatalyst Development For SynthesisCatalytic Reaction MechanismsDehydrogenationDehydrogenation CatalysisDehydrogenation ReactionsHydrogen Atom TransferOxidation
-oxyl (TEMPO) has been extensively utilized as a radical scavenger or an oxidation catalyst. In contrast, TEMPO as a hydrogen atom transfer (HAT) catalyst has rarely been studied. Here, we report that TEMPO, as the HAT catalyst, homolytically cleaves benzylic or allylic C-H bonds to give the corresponding alkyl radicals. Benefiting from the dual roles played by TEMPO as the HAT catalyst and the radical scavenger, the highly challenging aerobic dehydrogenation of activated alkanes to alkenes is successfully developed.
29
Lars Goerigk, Andreas Hansen, Christoph Bauer et al. · Physical Chemistry Chemical Physics · 2017 · 1.9K citations · Full text
Natural Sciences, Chemistry, Physics +12
A generally applicable atomic-charge dependent London dispersion correction
Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen et al. · The Journal of Chemical Physics · 2019 · 1.8K citations
Natural Sciences, Chemistry, Physics +15