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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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
2008-11-20
DOI10.1021/jp805837b
Volume112Issue:46Pages:11566-11574
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordBOND-DISSOCIATION ENERGIES ; METAL-BENZENE COMPLEXES ; GAS-PHASE ; ELECTRONIC-STRUCTURE ; CLUSTER ANIONS ; C-H ; VIBRATIONAL SPECTROSCOPY ; IONIZATION ENERGIES ; SANDWICH CLUSTERS ; IONS
AbstractThe 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.
Language英语
WOS IDWOS:000260926700009
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/140977
Collection中国科学院大连化学物理研究所
Affiliation1.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
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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