Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations

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	Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations
	Jiang, Li-Xue 1,2; Li, Xiao-Na 1; Li, Hai-Fang 1,2; Zhou, Zhen-Xun 3; He, Sheng-Gui 1
刊名	CHEMISTRY-AN ASIAN JOURNAL
	2016-10-01
卷号	11 期号:19 页码:2730-2734
关键词	cluster compounds density functional calculations hydrogen radicals reaction mechanisms
英文摘要	A molecular-level insight into the nature of reactive oxygen species involved in dihydrogen (H-2) dissociation is of great importance to understand gold catalysis. In this study, laser ablation generated and mass-selected AuNbO4+ oxide cluster cations could dissociate H-2 in an ion-trap reactor. The reaction has been characterized by time-of-flight mass spectrometric experiments and density functional calculations. The lowest energy isomer of AuNbO4+ contains two lattice oxygen (O-2(-)) and one superoxide (O-2(center dot-)) species. The gold atom anchors the H-2 molecule in the first step and then delivers one hydrogen atom to the O-2(-) ion in H-2 dissociation. At the same time, O-2(-) is reduced into a peroxide unit that can accept the second hydrogen atom of H-2 with the generation of a hydroxyl radical as the main product. In this study, the important roles of the O-2(-) unit in the dissociation of H-2 have been identified.
收录类别	SCI
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/35119]
专题	化学研究所_分子动态与稳态结构实验室
作者单位	1.Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.South China Univ Technol, Sch Chem & Chem Engn, Guangzhou 510640, Guangdong, Peoples R China
推荐引用方式 GB/T 7714	Jiang, Li-Xue,Li, Xiao-Na,Li, Hai-Fang,et al. Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations[J]. CHEMISTRY-AN ASIAN JOURNAL,2016,11(19):2730-2734.
APA	Jiang, Li-Xue,Li, Xiao-Na,Li, Hai-Fang,Zhou, Zhen-Xun,&He, Sheng-Gui.(2016).Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations.CHEMISTRY-AN ASIAN JOURNAL,11(19),2730-2734.
MLA	Jiang, Li-Xue,et al."Generation of Hydroxyl Radicals in the Reaction of Dihydrogen with AuNbO4+ Cluster Cations".CHEMISTRY-AN ASIAN JOURNAL 11.19(2016):2730-2734.