Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species
文献类型：期刊论文
| 作者 | Wang, Peng1,2; Zhang, Wenjing1,2; Xu, Xi-Ling1,2; Yuan, Jinyun1,3; Xu, Hong-Guang1,2; Zheng, Weijun1,2 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2017-05-21 |
| 卷号 | 146期号:19 |
| 英文摘要 | We conducted gas phase anion photoelectron spectroscopy and density functional theory studies on a number of gold acetylide species, such as AuC2H, AuC2Au, and Au2C2H. Based on the photoelectron spectra, the electron affinities of AuC2H, AuC2Au, and Au2C2H are measured to be 1.54(+/- 0.04), 1.60(+/- 0.08), and 4.23(+/- 0.08) eV, respectively. The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps of AuC2H and AuC2Au are measured to be about 2.62 and 2.48 eV, respectively. It is interesting that photoelectron spectra of AuC2H- and AuC2Au- display similar spectral features. The comparison of experimental and theoretical results confirms that the ground-state structures of AuC2H-, AuC2Au-, and their neutrals are all linear with Au C equivalent to C Hand Au C equivalent to C Au configurations. The similar geometric structures, spectral features, HOMO-LUMO gaps, and chemical bonding between AuC2H-/0 and AuC2Au-/0 demonstrate that Au atom behaves like H atom in these species. The photoelectron spectrum of Au2C2H- shows that Au2C2H has a high electron affinity of 4.23(+/- 0.08) eV, indicating Au(2)C(2)His a superhalogen. Further, we found an unusual similarity between the terminal Au atom of Au2C2H- and the iodine atom of IAuC2H-. Published by AIP Publishing. |
| 语种 | 英语 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/38423]  |
| 专题 | 化学研究所_分子反应动力学实验室 |
| 作者单位 | 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Huanghe Sci & Technol Coll, Inst Nanostruct Funct Mat, Zhengzhou 450006, Henan, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Peng,Zhang, Wenjing,Xu, Xi-Ling,et al. Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species[J]. JOURNAL OF CHEMICAL PHYSICS,2017,146(19). |
| APA | Wang, Peng,Zhang, Wenjing,Xu, Xi-Ling,Yuan, Jinyun,Xu, Hong-Guang,&Zheng, Weijun.(2017).Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species.JOURNAL OF CHEMICAL PHYSICS,146(19). |
| MLA | Wang, Peng,et al."Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species".JOURNAL OF CHEMICAL PHYSICS 146.19(2017). |
入库方式： OAI收割
来源：化学研究所
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