Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study
文献类型：期刊论文
| 作者 | Sun, Zhang1,3; Tang, Zichao1,2; Gao, Zhen1 |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2013-01-30 |
| 卷号 | 1032页码:111-117 |
| 关键词 | Anionic Complexes Half Sandwich Structures Photoelectron Spectroscopy Density Functional Theory |
| ISSN号 | 0022-2860 |
| DOI | 10.1016/j.molstruc.2012.08.003 |
| 英文摘要 | The metal-hexafluorobenzene anionic complexes of [MC6F6](-) (M = Ag and Au) were produced from the reactions between metal cluster generated by laser ablation and the hexafluorobenzene seeded in argon carrier gas, and were studied by photoelectron spectroscopy (PES) and density functional theory (DFT). The adiabatic electron affinities (EAs) of these corresponding complexes are measured from the experimental PE spectra at 193 nm photon energy. Also, the calculated EAs and the calculated density of states (DOS) spectra of these complexes in the ground state are conducted, which are in good agreement with their experimental PE spectra. The most possible structures of the anions [AgC6F6](-) and [AuC6F6](-) are the half-sandwich structures with C-6v symmetry, in which the metal atom is above the center of the C6F6 plane. Furthermore, the molecular orbital (MO) analysis of these species indicates that the additional electron of the anions binds on the metal. (C) 2012 Elsevier B.V. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000313601100018 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/42146]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Sun, Zhang |
| 作者单位 | 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci BNLMS, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Hebei United Univ, Coll Chem Engn, Tangshan 063009, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun, Zhang,Tang, Zichao,Gao, Zhen. Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study[J]. JOURNAL OF MOLECULAR STRUCTURE,2013,1032:111-117. |
| APA | Sun, Zhang,Tang, Zichao,&Gao, Zhen.(2013).Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study.JOURNAL OF MOLECULAR STRUCTURE,1032,111-117. |
| MLA | Sun, Zhang,et al."Half sandwich structures of MC6F6- (M = Ag and Au): An experimental and theoretical study".JOURNAL OF MOLECULAR STRUCTURE 1032(2013):111-117. |
入库方式： OAI收割
来源：化学研究所
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