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Photoelectron Spectroscopic and Theoretical Study of Aromatics-Pb-m Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m=1-4): A Comparative Study
Sun, Zhang1; Sun, Shutao1; Liu, Hongtao1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2
刊名JOURNAL OF PHYSICAL CHEMISTRY A
2008-11-20
DOI10.1021/jp805837b
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
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
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.
语种英语
WOS记录号WOS:000260926700009
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被引频次:2[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/321008/140977
专题中国科学院大连化学物理研究所
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
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GB/T 7714
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.
APA Sun, Zhang,Sun, Shutao,Liu, Hongtao,Zhu, Qihe,Gao, Zhen,&Tang, Zichao.(2008).Photoelectron Spectroscopic and Theoretical Study of Aromatics-Pb-m Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m=1-4): A Comparative Study.JOURNAL OF PHYSICAL CHEMISTRY A,112(46),11566-11574.
MLA Sun, Zhang,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".JOURNAL OF PHYSICAL CHEMISTRY A 112.46(2008):11566-11574.
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