Journal of the American Chemical Society · 2007 · 235 citations · 20 references
Natural SciencesChemistryCatalysisOrganic ChemistryStructure-activity RelationshipsHeterocyclic ChemistryLigand BindingLigand-based DesignEnantioselective CatalysisEnantioselective SynthesisHydrogen Bonding InteractionsHydrogen-bonding CatalysisLigand DesignTransition State Design
A successful stereochemical reversal was achieved in AgOAc catalyzed [3+2] cycloaddition by the formation of hydrogen bonding between ligand and reactant. This strategy provides an efficient and convenient route to prepare both enantiomers of a chiral compound. DFT studies proposed a reasonable mechanism of the reversal of the enantioselectivity; hydrogen bonding changed the transition state. The strategy may provide some useful hints for ligand design.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13