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 |
| DOI | 10.1021/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 |
| 推荐引用方式 GB/T 7714 | 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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