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题名: Experimental and theoretical study on activation of the C-H bond in pyridine by [M-m](-) (M = Cu, Ag, Au, m=1-3)
作者: Liu, Xiao-Jing1;  Hamilton, I. P.1;  Han, Ke-Li2;  Tang, Zi-Chao2
刊名: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
发表日期: 2010
DOI: 10.1039/c002503h
卷: 12, 期:35, 页:10602-10609
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: Activation of the C-H bond of pyridine by [M-m](-) ( M = Cu, Ag, Au, m = 1-3) is investigated by experiment and theory. Complexes of coinage metal clusters and the pyridyl group, [M-m-C5H4N](-), are produced from reactions between metal clusters formed by laser ablation of coinage metal samples and pyridine molecules seeded in argon carrier gas. We examine the structure and formation mechanism of these pyridyl-coinage metal complexes. Our study shows that C5H4N bonds to the metal clusters through a M-C sigma bond and [M-m-C5H4N](-) is produced via a stepwise mechanism. The first step is a direct insertion reaction between [M-m](-) and C5H5N with activation of the C-H bond to yield the intermediate [HMm-C5H4N](-). The second step is H atom abstraction by a neutral metal atom to yield [M-m-C5H4N](-).
关键词[WOS]: ENHANCED RAMAN-SPECTROSCOPY ;  DENSITY-FUNCTIONAL THEORY ;  METAL CLUSTER ANIONS ;  COLLISION-INDUCED DISSOCIATION ;  PHOTOELECTRON-SPECTROSCOPY ;  DFT CALCULATIONS ;  CONFIGURATION-INTERACTION ;  ELECTRON-AFFINITIES ;  FORMATION MECHANISM ;  CORRELATION-ENERGY
语种: 英语
WOS记录号: WOS:000281352300057
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/141777
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Wilfrid Laurier Univ, Dept Chem, Waterloo, ON N2L 3C5, Canada
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 11602, Peoples R China

Recommended Citation:
Liu, Xiao-Jing,Hamilton, I. P.,Han, Ke-Li,et al. Experimental and theoretical study on activation of the C-H bond in pyridine by [M-m](-) (M = Cu, Ag, Au, m=1-3)[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2010,12(35):10602-10609.
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