中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4)

文献类型:期刊论文

作者Sun, Zhang1; Sun, Shutao1; Liu, Hongtao1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2
刊名JOURNAL OF PHYSICAL CHEMISTRY A
出版日期2009-07-16
卷号113期号:28页码:8045-8054
ISSN号1089-5639
DOI10.1021/jp8099626
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
出版者AMER CHEMICAL SOC
源URL[http://ir.iccas.ac.cn/handle/121111/68575]  
专题中国科学院化学研究所
通讯作者Gao, Zhen
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.

入库方式: OAI收割

来源:化学研究所

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