Chinese Journal of Chemical Physics, Volume. 33, Issue 5, 628(2020)

Hydrogen-Assisted C-C Coupling on Reaction of CuC3H- Cluster Anion with CO

Xiao-na Lia1...3,*, Li-xue Jiang1,2,3, Qing-yu Liu3, Yi Ren1,2,3, and Gong-ping Wei1,23 |Show fewer author(s)
Author Affiliations
  • 1State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
  • 2University of Chinese Academy of Sciences, Beijing 100049, China
  • 3Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences, Beijing 100190, China
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    A fundamental study on C-C coupling, that is the crucial step in the Fischer-Tropsch synthesis (FTS) process to obtain multi-carbon products, is of great importance to tailor catalysts and then guide a more promising pathway. It has been demonstrated that the coupling of CO with the metal carbide can represent the early stage in the FTS process, while the related mechanism is elusive. Herein, the reactions of the CuC$ _3 $H$ ^- $ and CuC$ _3 $clusteranionswithCOhavebeenstudiedbyusingmassspectrometryandtheoreticalcalculations.TheexperimentalresultsshowedthatthecouplingofCOwiththeC$3$H$$moietyofCuC$3$H$$cangeneratetheexclusiveionproductCOC$3$H$$.ThereactivityandselectivityofthisreactionofCuC$3$H$$withCOaregreatlyhigherthanthatofthereactionofCuC$3 ^- $ with CO, and this H-assisted C-C coupling process was rationalized by theoretical calculations.

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    Xiao-na Lia, Li-xue Jiang, Qing-yu Liu, Yi Ren, Gong-ping Wei. Hydrogen-Assisted C-C Coupling on Reaction of CuC3H- Cluster Anion with CO[J]. Chinese Journal of Chemical Physics, 2020, 33(5): 628

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    Paper Information

    Received: Jun. 13, 2020

    Accepted: Jul. 13, 2020

    Published Online: Apr. 21, 2021

    The Author Email: Lia Xiao-na (lxn@iccas.ac.cn)

    DOI:10.1063/1674-0068/cjcp2006094

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