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题名: Pb-m-phenyl (m=1-5) complexes: an anion photoelectron spectroscopy and density functional study
作者: Liu, Hongtao;  Xing, Xiaopeng;  Sun, Shutao;  Gao, Zhen;  Tang, Zichao
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2006-07-20
DOI: 10.1021/jp0617470
卷: 110, 期:28, 页:8688-8694
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 phenyl-lead metal complexes ([PbmC6H5](-)) produced from the reactions between benzene and lead clusters formed by laser ablation on a lead solid sample are studied by photoelectron spectroscopy ( PES) and density functional theory (DFT). The adiabatic electron affinities (EAs) of [PbmC6H5](-) are obtained from PES at 308 nm, and the differences between the PES of [PbmC6H5](-) and the PES of Pb-m(-) are discussed in detail. The results reveal that the phenyl group binds perpendicularly on lead clusters through the Pb-C sigma bond and the complexes have a closed shell structure. Calculations with DFT are carried out on the structural and electronic properties of [PbmC6H5]-, and the adiabatic detachment energy for the optimized structures of anion are in agreement with the experimental PES results. The density of states (DOS) calculated is compared with experimental PES and is discussed. The most possible structures for each species are concluded, and the bonding between Pb and phenyl is analyzed, which also proves that the phenyl group binds perpendicularly on lead clusters through the Pb-C sigma bond.
关键词[WOS]: METAL-BENZENE COMPLEXES ;  LEAD CLUSTER ANIONS ;  COLLISION-INDUCED DISSOCIATION ;  GAS-PHASE ;  ELECTRONIC-STRUCTURE ;  IONIZATION ENERGIES ;  BINDING-ENERGIES ;  CHARGE-TRANSFER ;  ION ;  SPECTROMETER
语种: 英语
WOS记录号: WOS:000239001600011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140165
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam,BNLMS, Beijing 100080, Peoples R China

Recommended Citation:
Liu, Hongtao,Xing, Xiaopeng,Sun, Shutao,et al. Pb-m-phenyl (m=1-5) complexes: an anion photoelectron spectroscopy and density functional study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2006,110(28):8688-8694.
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