Angewandte Chemie International Edition · 2018 · 227 citations · 116 references
Natural SciencesChemistryBiocatalysisCatalysisReaction EngineeringAcid-base CatalysisCatalyst DesignCatalytic MaterialsCatalytic MechanismsCross-coupling ReactionsMetal CatalysisAlkylation CatalysisAlkylation ProcessesAlkylation ReactionsChiral Catalyst DesignCobalt CatalysisEnantioselective CatalysisEnantioselectivityMild Reaction Conditions
The enantioselective cobalt(III)-catalyzed C-H alkylation was achieved through the design of a novel chiral acid. The cobalt(III)-catalyzed enantioselective C-H activation was characterized by high position-, regio- and enantio-control under exceedingly mild reaction conditions. Thereby, the robust cooperative cobalt(III) catalysis proved tolerant of valuable electrophilic functional groups, including hydroxyl, bromo, and iodo substituents. Mechanistic studies revealed a considerable additive effect on kinetics and on a negative non-linear-effect.
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Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Accurate Coulomb-fitting basis sets for H to Rn
Florian Weigend · Physical Chemistry Chemical Physics · 2006 · 8.8K citations
Natural Sciences, Chemistry, Physics +12