Mechanism of Brønsted acid-catalyzed conversion of carbohydrates

Potential Brønsted acid-catalyzed glucose and fructose conversion routes to levulinic acid have been studied by DFT calculations. The most favorable mechanisms for sugar transformations initiated by protonation of different OH groups are identified. It is demonstrated that the differences in the rea...

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Vydáno v:	Journal of catalysis Ročník 295; s. 122 - 132
Hlavní autoři:	Yang, Gang, Pidko, Evgeny A., Hensen, Emiel J.M.
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Amsterdam Elsevier Inc 01.11.2012 Elsevier Elsevier BV
Témata:	5-Hydroxymethylfurfural Acid catalysis Acids active sites aqueous solutions Biomass biorefining Carbohydrates carbon Catalysis Catalysts Chemical reactions Chemistry condensation DFT calculations Exact sciences and technology fructose General and physical chemistry glucose Hexose humin hydroxymethylfurfural Levulinic acid Reaction mechanism rehydration Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry Hexose Levulinic acid 5-Hydroxymethylfurfural Reaction mechanism Biomass Acid catalysis DFT calculations Water Glucose Potential Dehydration Precursor Acidic solution Brönsted acid Sequential Hydroxyl group Carbohydrate Chemical reactivity Catalytic reaction Condensation reaction Regioselectivity Reaction path Carbon Conversion Fructose Density functional method Rehydration Protonation Aqueous solution
ISSN:	0021-9517, 1090-2694
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