Molecular mechanism for the activation of Au25(SCH2CH2Ph)18 nanoclusters by imidazolium-based ionic liquids for catalysis
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- 作者：Hadi Abroshana ; 1 ; Gao Lia ; b ; 1 ; Jizhi Linb ; Hyung J. Kima ; c ; Rongchao Jina ; rongchao@andrew.cmu.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Gold nanoclusters ; Au25 ; Suzuki cross coupling ; Ionic liquids ; DFT calculation ; MD simulation
- 刊名：Journal of Catalysis
- 出版年：2016
- 出版时间：May 2016
- 年：2016
- 卷：337
- 期：Complete
- 页码：72-79
- 全文大小：937 K
文摘
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Au25(SCH2CH2Ph)18 are studied for the catalytic Suzuki cross-coupling reactions.
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The reaction is promoted by imidazolium-based ionic liquids (ILs).
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Mechanistic insights are given by combining experiments with DFT and MD calculations.
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Nanocluster interaction with IL cations exposes catalytic active sites.