Photoelectron imaging and theoretical study on the structure and chemical binding of the mixed- ligand M(I) complexes, [HMSH](-) (M = Cu, Ag, and Au)
文献类型：期刊论文
| 作者 | Qin, Zhengbo; Liu, Zhiling; Cong, Ran; Xie, Hua; Tang, Zichao; Fan, Hongjun |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2014-03-21 |
| 卷号 | 140期号:11 |
| 英文摘要 | we have reported a combined photoelectron imaging and theoretical study on gaseous mixed-ligand m(i) complexes of [hmsh](-) (m = cu, ag, and au). with the aid of franck-condon simulations, vibrationally resolved photoelectron spectra yield accurate electron affinities of 3.269( 6), 3.669( 10), and 3.591(6) ev for [hcush], [hagsh], and [haush], respectively. and low-frequency modes are observed: 368(12) cm(-1) for [hcush], 286( 12) cm(-1) for [hagsh], and 327(12) cm(-1) for [haush], respectively. extensive theoretical calculations are performed to aid in the spectral assignments and the calculated values agree well with the experimental observations. although the s and h atoms have little discrepancy in electronegativity (2.20 for h and 2.54 for s), distinct bonding properties are demonstrated between h-m and m-s bond. it is revealed that there exists significant ionic bonding between m-s in [hmsh](-) (m = cu, ag, and au), while a gradual transition from ionic behavior between h-cu in [hcush](-) to quite strong covalent bonding between h-au in [haush](-), supported by a variety of chemical bonding analyses. (c) 2014 aip publishing llc. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | natural resonance theory ; electronic-structure ; basis-sets ; noncovalent interactions ; density functionals ; metal-hydrides ; gold ; aurophilicity ; spectroscopy ; chemistry |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000334168400019 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145588]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 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 | Qin, Zhengbo,Liu, Zhiling,Cong, Ran,et al. Photoelectron imaging and theoretical study on the structure and chemical binding of the mixed- ligand M(I) complexes, [HMSH](-) (M = Cu, Ag, and Au)[J]. journal of chemical physics,2014,140(11). |
| APA | Qin, Zhengbo,Liu, Zhiling,Cong, Ran,Xie, Hua,Tang, Zichao,&Fan, Hongjun.(2014).Photoelectron imaging and theoretical study on the structure and chemical binding of the mixed- ligand M(I) complexes, [HMSH](-) (M = Cu, Ag, and Au).journal of chemical physics,140(11). |
| MLA | Qin, Zhengbo,et al."Photoelectron imaging and theoretical study on the structure and chemical binding of the mixed- ligand M(I) complexes, [HMSH](-) (M = Cu, Ag, and Au)".journal of chemical physics 140.11(2014). |
入库方式： OAI收割
来源：大连化学物理研究所
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