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Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4)
Sun, Zhang1; Sun, Shutao1; Liu, Hongtao1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2
刊名JOURNAL OF PHYSICAL CHEMISTRY A
2009-07-16
DOI10.1021/jp8099626
113期:28页:8045-8054
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]BENZENE CLUSTER ANIONS ; GAS-PHASE ; ELECTRONIC-STRUCTURE ; IONIZATION ENERGIES ; METAL-SURFACES ; PHENYL GROUPS ; IONS ; SPECTROMETER ; MOLECULES ; AU
英文摘要The reactions between metal (Pb or Bi) clusters formed by laser ablation and hexafluorobenzene (C6F6) seeded in argon carrier gas were studied by a reflectron time-of-flight mass spectrometer combined with a photoelectron spectrometer. The adiabatic electron affinities of the dominant anionic products, PbmC6F5- and BimC6F5- (m = 1-4) complexes, were obtained from the photoelectron spectra with 193 rim photons. It was found that the EAs of PbmC6F5 are higher than those of the pure Pb-m clusters and that the photoelectron spectra of BimC6F5- show sorne similarities to those of Bi-m+1(-). Theoretical calculations were carried out to elucidate their geometric structures and bonding modes. The adiabatic detachment energy and simulated spectrum based on Koopmans' theorem for the optimized structures of each complex were in agreement with the photoelectron spectroscopy results. The most likely structures for each species were obtained. The analysis of the molecular orbital composition provides evidence that the C6F5 group contributes a single electron to bind with metal Clusters through the M-C sigma bond.
语种英语
WOS记录号WOS:000268138700009
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被引频次:5[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/321008/141612
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, State Key Lab Mol React Dynam,Ctr Mol Sci, Beijing Natl Lab Mol Sci, 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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Sun, Zhang,Sun, Shutao,Liu, Hongtao,et al. Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4)[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2009,113(28):8045-8054.
APA Sun, Zhang,Sun, Shutao,Liu, Hongtao,Zhu, Qihe,Gao, Zhen,&Tang, Zichao.(2009).Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4).JOURNAL OF PHYSICAL CHEMISTRY A,113(28),8045-8054.
MLA Sun, Zhang,et al."Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4)".JOURNAL OF PHYSICAL CHEMISTRY A 113.28(2009):8045-8054.
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