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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Bibliographic Details
Published in:	Journal of catalysis Vol. 295; pp. 122 - 132
Main Authors:	Yang, Gang, Pidko, Evgeny A., Hensen, Emiel J.M.
Format:	Journal Article
Language:	English
Published:	Amsterdam Elsevier Inc 01.11.2012 Elsevier Elsevier BV
Subjects:	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
Online Access:	Get full text
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