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Pb-m-phenyl (m=1-5) complexes: an anion photoelectron spectroscopy and density functional study
Liu, Hongtao; Xing, Xiaopeng; Sun, Shutao; Gao, Zhen; Tang, Zichao
刊名JOURNAL OF PHYSICAL CHEMISTRY A
2006-07-20
DOI10.1021/jp0617470
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
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
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.
语种英语
WOS记录号WOS:000239001600011
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被引频次:12[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/140165
专题中国科学院大连化学物理研究所
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
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GB/T 7714
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.
APA Liu, Hongtao,Xing, Xiaopeng,Sun, Shutao,Gao, Zhen,&Tang, Zichao.(2006).Pb-m-phenyl (m=1-5) complexes: an anion photoelectron spectroscopy and density functional study.JOURNAL OF PHYSICAL CHEMISTRY A,110(28),8688-8694.
MLA Liu, Hongtao,et al."Pb-m-phenyl (m=1-5) complexes: an anion photoelectron spectroscopy and density functional study".JOURNAL OF PHYSICAL CHEMISTRY A 110.28(2006):8688-8694.
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