On the Brønsted acid-catalyzed homogeneous hydrolysis of furans
Nima Nikbin1, Stavros Caratzoulas, Dionisios G Vlachos
1Department Chemical and Biomolecular Engineering, Center for Catalysis Center for Energy Innovation, University of Delaware, 150 Academy Street, Newark, DE 19716 (USA).
Abstract:
Furan affairs: Electronic structure calculations of the homogeneous Brønsted acid-catalyzed hydrolysis of 2,5-dimethylfuran show that proton transfer to the β-position is rate-limiting and provides support that the hydrolysis follows general acid catalysis. By means of projected Fukui indices, we show this to be the case for unsubstituted, 2-, and 2,5-substituted furans with electron-donating groups.
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