Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2- at room temperature

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	Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2- at room temperature
	Hu, Ji-Chuang 1; Xu, Lin-Lin 1; Li, Hai-Fang 2; Valdivielso, David Yubero 3; Fielicke, Andre 3; He, Sheng-Gui 2; Ma, Jia-Bi 1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2017
卷号	19 期号:4 页码:3136-3142
英文摘要	The reactivity of gas-phase cluster anions Ta3N2- with C2H4 under thermal collision conditions was studied by mass spectrometry in conjunction with density functional theory calculations. The full dehydrogenation of the C2H4 molecule was observed, with the formation of two dihydrogen molecules. Interestingly, the two carbon atoms originating from the first C2H4 molecule are used to construct another cluster Ta3N2C2-, which can activate one more C2H4 releasing one H-2 molecule. Therefore, three dihydrogen molecules are liberated from two ethene molecules in the overall reaction. The full dehydrogenation of C2H4 by gas-phase anions as well as the structure and reactivity of M-N-C (M: transition metal) cluster is reported for the first time. The properties of Ta(3)N(2)(-)and Ta(3)N(2)C(2)(-)elucidated herein are of use in providing fundamental information that is necessary to tailor the design of new and effective catalysts by applying the related materials.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38190]
专题	化学研究所_分子动态与稳态结构实验室
作者单位	1.Beijing Inst Technol, Sch Chem, Key Lab Cluster Sci, Inst Chem Phys, Beijing 100081, Peoples R China 2.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China 3.Tech Univ Berlin, Inst Optic & Atom Phys, D-10623 Berlin, Germany
推荐引用方式 GB/T 7714	Hu, Ji-Chuang,Xu, Lin-Lin,Li, Hai-Fang,et al. Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2- at room temperature[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(4):3136-3142.
APA	Hu, Ji-Chuang.,Xu, Lin-Lin.,Li, Hai-Fang.,Valdivielso, David Yubero.,Fielicke, Andre.,...&Ma, Jia-Bi.(2017).Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2- at room temperature.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(4),3136-3142.
MLA	Hu, Ji-Chuang,et al."Liberation of three dihydrogens from two ethene molecules as mediated by the tantalum nitride anion cluster Ta3N2- at room temperature".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.4(2017):3136-3142.