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Issue 38, 2017
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Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin

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Abstract

The conversion of glycerol to epichlorohydrin (GTE) is of great interest because the product is widely used in plastics, rubbers and adhesives, and also contributes to the disposal of the reactant glycerol, a major by-product in biodiesel production. Here we find effective catalysis by small gold clusters for the GTE reaction in water with an enhanced selectivity towards the desired product. Along with natural bond orbital (NBO) analysis rationalizing the donor–acceptor charge-transfer interactions, we illustrate the mechanism for bond activation in the reactants and intermediates over gold cluster catalysts, and present thermodynamically and kinetically favoured reaction pathways for dehydrochlorination in GTE processes.

Graphical abstract: Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin

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Publication details

The article was received on 06 Aug 2017, accepted on 04 Sep 2017 and first published on 04 Sep 2017


Article type: Communication
DOI: 10.1039/C7CP05324J
Citation: Phys. Chem. Chem. Phys., 2017,19, 25840-25845
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    Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin

    A. M. Pembere, M. Yang and Z. Luo, Phys. Chem. Chem. Phys., 2017, 19, 25840
    DOI: 10.1039/C7CP05324J

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