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 CuC3H− and CuC3− cluster anions with CO have been studied by using mass spectrometry and theoretical calculations. The experimental results showed that the coupling of CO with the C3H− moiety of CuC3H− can generate the exclusive ion product COC3H−. The reactivity and selectivity of this reaction of CuC3H− with CO are greatly higher than that of the reaction of CuC3− with CO, and this H-assisted C−C coupling process was rationalized by theoretical calculations.
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October 2020
Research Article|
October 01 2020
Hydrogen-assisted C-C coupling on reaction of CuC3H−Cluster anion with CO†
Special Collection:
Special Issue of 16th National Chemical Dynamics Symposium
Xiao-na Li;
Xiao-na Li
*
a
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences
, Beijing 100190, China
c
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences
, Beijing 100190, China
*Author to whom correspondence should be addressed. E-mail: lxn@iccas.ac.cn
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Li-xue Jiang;
Li-xue Jiang
a
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences
, Beijing 100190, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
c
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences
, Beijing 100190, China
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Qing-yu Liu;
Qing-yu Liu
a
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences
, Beijing 100190, China
c
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences
, Beijing 100190, China
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Yi Ren;
Yi Ren
a
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences
, Beijing 100190, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
c
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences
, Beijing 100190, China
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Gong-ping Wei
Gong-ping Wei
a
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences
, Beijing 100190, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
c
Beijing National Laboratory for Molecular Sciences, CAS Research/Education Center of Excellence in Molecular Sciences
, Beijing 100190, China
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*Author to whom correspondence should be addressed. E-mail: lxn@iccas.ac.cn
†
Part of the special issue on “the Chinese Chemical Society’s 16th National Chemical Dynamics Symposium”.
Chin. J. Chem. Phys. 33, 628–634 (2020)
Article history
Received:
June 13 2020
Accepted:
July 13 2020
Citation
Xiao-na Li, Li-xue Jiang, Qing-yu Liu, Yi Ren, Gong-ping Wei; Hydrogen-assisted C-C coupling on reaction of CuC3H−Cluster anion with CO. Chin. J. Chem. Phys. 1 October 2020; 33 (5): 628–634. https://doi.org/10.1063/1674-0068/cjcp2006094
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