Reactions of V4O10+ cluster ions with simple inorganic and organic molecules

doi:10.1016/j.ijms.2013.06.004

CORC > 化学研究所 > 中国科学院化学研究所

	Reactions of V4O10+ cluster ions with simple inorganic and organic molecules
	Yuan, Zhen 1,2; Zhao, Yan-Xia 1; Li, Xiao-Na 1; He, Sheng-Gui 1
刊名	INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
	2013-11-15
卷号	354 页码:105-112
关键词	Mass Spectrometry Density Functional Computations Oxygen-centered Radicals Reaction Mechanisms Hydrogen Atom Transfer Vanadium Oxide
ISSN号	1387-3806
DOI	10.1016/j.ijms.2013.06.004
英文摘要	The reactivity of mass-selected V4O10+ cluster ions toward hydrocarbon molecules including CH4, C2H4, and C2H6 was explored in the references case by case. Herein, further systematic studies on the reactions of V4O10+ with simple inorganic and organic molecules (H-2, CO, CH4, C2H2, C2H4, and C2H6) are presented. The vanadium oxide cluster ions are prepared by laser ablation and the V4O10+ clusters are selected by a quadrupole mass filter and interacted with the simple molecules in a hexapole reaction cell. The reactant and product ions are detected by a reflectron time-of-flight mass spectrometer. Hydrogen and oxygen atom transfer reactions are observed. Density functional theory calculations are carried out for the reaction mechanism of V4O10+ + H-2. The oxygen atom transfer (OAT) channel V4O10+ + H-2 -> V4O9+ + H2O is much more exothermic than the hydrogen atom transfer (HAT) channel V4O10+ + H-2 -> V4O10+ + H whereas the former is less favorable than the later in terms of the reaction kinetics. The computational result is in good agreement with the experiment that the HAT (H-2 splitting) rather than the OAT (water formation) is observed for V4O10+ + H-2. (C) 2013 Elsevier B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000327809900016
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/53723]
专题	中国科学院化学研究所
通讯作者	Zhao, Yan-Xia
作者单位	1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100039, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Zhen,Zhao, Yan-Xia,Li, Xiao-Na,et al. Reactions of V4O10+ cluster ions with simple inorganic and organic molecules[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2013,354:105-112.
APA	Yuan, Zhen,Zhao, Yan-Xia,Li, Xiao-Na,&He, Sheng-Gui.(2013).Reactions of V4O10+ cluster ions with simple inorganic and organic molecules.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,354,105-112.
MLA	Yuan, Zhen,et al."Reactions of V4O10+ cluster ions with simple inorganic and organic molecules".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 354(2013):105-112.