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题名: Photoelectron Spectroscopic and Theoretical Study of Aromatics-Pb-m Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m=1-4): A Comparative Study
作者: Sun, Zhang1;  Sun, Shutao1;  Liu, Hongtao1;  Zhu, Qihe1;  Gao, Zhen1;  Tang, Zichao1, 2
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2008-11-20
DOI: 10.1021/jp805837b
卷: 112, 期:46, 页:11566-11574
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 reactions between lead vapored by laser ablation and different aromatic molecules (C6H6, C5H5N, C4H4O, or C4H5N) seeded in argon carrier gas were studied by a reflectron time-of-flight mass spectrometer (RTOF-MS) with a photoelectron spectrometer. The adiabatic electron affinities (EAs) of the dominant anionic products PbmC6H5-, PbmC5H4N- (m = 1-4) and PbmC4H3O-, PbmC4H4N- (m = 1-3) dehydrogenated complexes are obtained from the photoelectron spectra with 308 and 193 nm photon, respectively. It is found that the EAs of PbmC4H4N are higher than those of PbmC6H5, PbmC5H4N, and PbmC4H3O with the same metal number m. The possible structures for PbmC4H4N- complexes were calculated with density functional theory (DFT) and the most stable structure was confirmed. The adiabatic detachment energies for the most stable structure were in agreement with the experimental PIES results. The calculated density of state (DOS) agrees with the experimental PES spectrum well. It was confirmed by the theoretical calculations that the C4H4N group bonds on lead clusters through the Pb-N sigma bond.
关键词[WOS]: BOND-DISSOCIATION ENERGIES ;  METAL-BENZENE COMPLEXES ;  GAS-PHASE ;  ELECTRONIC-STRUCTURE ;  CLUSTER ANIONS ;  C-H ;  VIBRATIONAL SPECTROSCOPY ;  IONIZATION ENERGIES ;  SANDWICH CLUSTERS ;  IONS
语种: 英语
WOS记录号: WOS:000260926700009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140977
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,BNLMS, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Sun, Zhang,Sun, Shutao,Liu, Hongtao,et al. Photoelectron Spectroscopic and Theoretical Study of Aromatics-Pb-m Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m=1-4): A Comparative Study[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2008,112(46):11566-11574.
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