ICCAS OpenIR  > 分子动态与稳态结构实验室
Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin
Pembere, Anthony M.; Yang, Mengzhou; Luo, Zhixun
2017-10-14
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume19Issue:38Pages:25840-25845
AbstractThe 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.
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/41243
Collection分子动态与稳态结构实验室
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Pembere, Anthony M.,Yang, Mengzhou,Luo, Zhixun. Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(38):25840-25845.
APA Pembere, Anthony M.,Yang, Mengzhou,&Luo, Zhixun.(2017).Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(38),25840-25845.
MLA Pembere, Anthony M.,et al."Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.38(2017):25840-25845.
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