Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity
文献类型：期刊论文
| 作者 | Li, WL; Liu, HT; Jian, T; Lopez, GV; Piazza, ZA; Huang, DL; Chen, TT; Su, J; Yang, P; Chen, X |
| 刊名 | CHEMICAL SCIENCE
 |
| 出版日期 | 2016 |
| 卷号 | 7期号:1页码:475—481 |
| 关键词 | TRANSITION-METAL-COMPLEXES GENERALIZED-GRADIENT-APPROXIMATION STRETCH ISOMERISM PHOTOELECTRON-SPECTROSCOPY THEORETICAL CHEMISTRY BASIS-SETS GOLD MOLECULES CLUSTERS ATTRACTION |
| ISSN号 | 2041-6520 |
| 通讯作者 | Wang, LS (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. |
| 英文摘要 | We report a joint photoelectron spectroscopy and theoretical investigation of the gaseous Au2I3- cluster, which is found to exhibit two types of isomers due to competition between Au-I covalent bonding and Au-Au aurophilic interactions. The covalent bonding favors a bent IAuIAuI- structure with an obtuse Au-I-Au angle (100.7 degrees), while aurophilic interactions pull the two Au atoms much closer, leading to an acutely bent structure (72.0 degrees) with an Au-Au distance of 3.08 angstrom. The two isomers are separated by a small barrier and are nearly degenerate with the obtuse isomer being slightly more stable. At low temperature, only the obtuse isomer is observed; distinct experimental evidence is observed for the coexistence of a combination of isomers with both acute and obtuse bending angles at room temperature. The two bond-bending isomers of Au2I3- reveal a unique example of one molecule being able to oscillate between different structures as a result of two competing chemical forces. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000366826900056 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/25656]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Li, WL,Liu, HT,Jian, T,et al. Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity[J]. CHEMICAL SCIENCE,2016,7(1):475—481. |
| APA | Li, WL.,Liu, HT.,Jian, T.,Lopez, GV.,Piazza, ZA.,...&Li, J.(2016).Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity.CHEMICAL SCIENCE,7(1),475—481. |
| MLA | Li, WL,et al."Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity".CHEMICAL SCIENCE 7.1(2016):475—481. |
入库方式： OAI收割
来源：上海应用物理研究所
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