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CAS OpenIR  > 中科院上海应用物理研究所2011-2017年  > 期刊论文
题名:
Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity
作者: Li, WL; Liu, HT; Jian, T; Lopez, GV; Piazza, ZA; Huang, DL; Chen, TT; Su, J; Yang, P; Chen, X; Wang, LS; Li, J
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
DOI: 10.1039/c5sc03568f
通讯作者: Wang, LS (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA.
文章类型: 期刊文献
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
ISSN号: 2041-6520
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25656
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
Li, WL,Liu, HT,Jian, T,et al. Bond-bending isomerism of Au2I3-: competition between covalent bonding and aurophilicity[J]. CHEMICAL SCIENCE,2016-01-01,7(1):475—481.
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文件名: Bond-bending isomerism of Au2I3- competition between covalent bonding and aurophilicity.pdf
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