Photoelectron Spectroscopic and Theoretical Study of Aromatics-Pb-m Anionic Complexes (Aromatics = C6H5, C5H4N, C4H3O, and C4H4N; m=1-4): A Comparative Study
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 | 2008-11-20 |
| 卷号 | 112期号:46页码:11566-11574 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp805837b |
| 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 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/64317]  |
| 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, 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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：化学研究所
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