Citation: Wei Li, Hechen Wu, Xunlei Ding, Xiaonan Wu. The cycloaddition reaction of ethylene and methane mediated by Ir⁺ to generate a half-sandwich structure IrHCp⁺[J]. Chinese Chemical Letters, ;2023, 34(1): 107196. doi: 10.1016/j.cclet.2022.02.002 shu

The cycloaddition reaction of ethylene and methane mediated by Ir⁺ to generate a half-sandwich structure IrHCp⁺

Wei Li ^{a, c} ,
Hechen Wu ^b ,
Xunlei Ding ^{a, c, *,} ,
Xiaonan Wu ^{b, *,}

a.
School of Mathematics and Physics, North China Electric Power University, Beijing 102206, China
b.
Department of Chemistry, Fudan University, Shanghai 200433, China
c.
Institute of Clusters and Low Dimensional Nanomaterials, North China Electric Power University, Beijing 102206, China

dingxl@ncepu.edu.cn

wuxiaonan@fudan.edu.cn

Received Date: 24 December 2021
Revised Date: 19 January 2022
Accepted Date: 1 February 2022
Available Online: 6 February 2022

Figures(4)

The cycloaddition reactions of methane and ethylene mediated by Ir⁺ have been designed and studied by the techniques of mass spectrometry in conjunction with theoretical calculations. Studies have shown that Ir⁺ can mediate the cycloaddition reaction of CH₄ and two C₂H₄ to generate a half-sandwich structure IrHCp⁺ (Cp = η⁵-C₅H₅) including pentamethylcyclopentadienyl ligand by continuous dehydrogenation reaction with the forming of three C-C bonds and seven C-H bonds. The orbital analysis indicates the mechanism of the cyclization reaction to generation of pentamethylcyclopentadienyl ligand with odd number carbon atom depends on the overlap of π orbitals in -C₂H₂ and carbene, which is more difficult than the forming of cyclobutadiene ligand and benzene. This study may help to understand the reaction mechanism in the cycloaddition reactions of organic compounds, which will be useful to guide the rational design of new catalysts with tailored selectivity and increased efficiency.
- Cycloaddition reaction,
- Mass spectrometry,
- Theoretical calculation,
- Half-sandwich structure
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沈阳化工大学材料科学与工程学院沈阳 110142

The cycloaddition reaction of ethylene and methane mediated by Ir+ to generate a half-sandwich structure IrHCp+

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通讯作者: 陈斌, bchen63@163.com

The cycloaddition reaction of ethylene and methane mediated by Ir⁺ to generate a half-sandwich structure IrHCp⁺