Small gold clusters catalyzing the conversion of glycerol to epichlorohydrin

CORC > 化学研究所 > 中国科学院化学研究所 > 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
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2017-10-14
卷号	19 期号:38 页码:25840-25845
英文摘要	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.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/41243]
专题	化学研究所_分子动态与稳态结构实验室
作者单位	Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China
推荐引用方式 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.