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题名: Experimental and theoretical studies of the interaction of silver cluster cations Ag-n(+) (n=1-4) with ethylene
作者: Tian, ZX;  Tang, ZC
刊名: RAPID COMMUNICATIONS IN MASS SPECTROMETRY
发表日期: 2005
DOI: 10.1002/rcm.2139
卷: 19, 期:20, 页:2893-2904
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Analytical ;  Spectroscopy
研究领域[WOS]: Chemistry ;  Spectroscopy
英文摘要: Reactions of silver cluster cations Ag-n(+) with ethylene have been studied using a reflectron time-of-flight mass spectrometer. Chemisorbed Ag-n(C2H4)(m)(+) (n =1-3, m =1-6) complexes were observed. For a given value of n, the abundances of Ag-n(C2H4)(m)(+) (n =1-3, m =1-6) species first increase and then decrease, with the maximum of the intensity distribution usually at m=4. This maximum does not change with the ethylene concentration in the mixed gas, the stagnation pressure of the mixed gas, or the size of Ag-n(+) (n =1-3). A complementary extensive theoretical study on the structure and binding of Ag-n(C2H4)(m)(+) (n =1-4, m =1-4) is also reported. Preferred binding sites, binding energies, geometries, vibrational frequencies, and ionization potentials are determined using density functional theory. Copyright (C) 2005 John Wiley & Sons, Ltd.
关键词[WOS]: TRANSITION METAL INTERACTION ;  EFFECTIVE CORE POTENTIALS ;  DER-WAALS COMPLEXES ;  FOCK-SLATER-LCAO ;  ELECTRONIC-STRUCTURE ;  MOLECULAR CALCULATIONS ;  CHEMISORPTION ;  SURFACES ;  ACETYLENE ;  CHEMISTRY
语种: 英语
WOS记录号: WOS:000232545400002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139720
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.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Tian, ZX,Tang, ZC. Experimental and theoretical studies of the interaction of silver cluster cations Ag-n(+) (n=1-4) with ethylene[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,2005,19(20):2893-2904.
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