ChemCatChem · 2013 · 30 citations · 39 references
Natural SciencesChemistryMaterials ScienceCatalysisComputational ChemistryOrganic ChemistryCatalyst DesignCatalyst SynthesisCatalytic MaterialsIndustrial CatalysisOrganic SynthesisZeolite CatalysisActivated CarbonCarbon CatalystsCarbon MaterialsCarbon-based CatalystsCatalytic Reaction SelectivityQuinoline SynthesisReaction SelectivityTextural Properties
Abstract We describe the first examples of Friedländer reactions efficiently catalyzed by carbon materials. We report herein a series of acidic activated carbon materials, which can be considered as an environmentally friendly, cheaper alternative to the traditional acidic mesoporous silicates or even zeolites for the synthesis of quinolines/quinolones. Textural parameters of the acidic activated carbon materials together with their acidic properties are important factors that affect the reaction selectivity. Some mechanistic details have been addressed by computational calculations.
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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
Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17