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题名: Phenyl-coinage metal (Ag, Au) complexes: An anion photoelectron spectroscopy and density functional study
作者: Sun, ST;  Xing, XP;  Liu, HT;  Tang, ZC
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2005-12-29
DOI: 10.1021/jp054068i
卷: 109, 期:51, 页:11742-11751
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: The important intermediate phenyl-coinage metal complexes (AgmC6H5-, AumC6H5-), which are produced from the reactions between coinage metal clusters formed by laser ablation and the benzene molecules seeded in argon carrier gas, are studied by PES (photoelectron spectroscopy) and DFT (density functional theory). The EAs (adiabatic electron affinities) of these complexes are obtained from PES at both 308 and 193 nm photon energies and show odd-even alternation. Calculations with DFT are carried out on the structural and electronic properties of AgmC6H5- and AumC6H5-; the adiabatic detachment energy and the calculated DOS (density of states) for the ground state of a given anion are in good agreement with the experimental PES results. The observed spectra are also compared with those of the pure coinage metal clusters, which reveal that there are some similarities between them and the phenyl acts like an additional metal atom in the clusters. Furthermore, the bonding between phenyl and metal is analyzed, suggesting that phenyl group binds perpendicularly on metal clusters through C-M sigma bond.
关键词[WOS]: BENZENE CLUSTER ANIONS ;  ELECTRONIC-STRUCTURE ;  GOLD CLUSTERS ;  GAS-PHASE ;  CO ;  MECHANISMS ;  OXIDATION ;  SPECTRA ;  GENERATION ;  GEOMETRY
语种: 英语
WOS记录号: WOS:000234259800014
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/139923
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, Ctr Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Sun, ST,Xing, XP,Liu, HT,et al. Phenyl-coinage metal (Ag, Au) complexes: An anion photoelectron spectroscopy and density functional study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2005,109(51):11742-11751.
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