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Issue 18, 2021
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Molecular engineered palladium single atom catalysts with an M-C1N3 subunit for Suzuki coupling

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Abstract

Single atom catalysis has emerged as a powerful technique for catalysis due to its outstanding performance and atom economy. Controlling the hybridization of the atom with its environment is crucial in determining the selectivity and/or yield of the reaction. However, the single atom environment is usually ill-defined and hard to predict because the pyrolysis process used in preparing SACs damages the original status of the precursors in the catalyst preparation. A molecular engineering approach to synthesize single atom catalysts (SACs) on a heterogeneous template provides a strategy to make SACs with a highly uniform coordinating environment. Herein, we report the preparation of a molecular engineered Pd single atom catalyst with a pre-defined M-N3C1 coordination (Pd-N3C1-SAC) using a structure-rigid Pd-N3C1 porphyrin as the precursor, which shows more efficient Suzuki coupling compared with the SAC with Pd-N4 coordination. The origin of the high activity of the Pd-N3C1-SAC is revealed through density functional theory calculations, where a lower reaction barrier for the rate-determining oxidative addition is identified.

Graphical abstract: Molecular engineered palladium single atom catalysts with an M-C1N3 subunit for Suzuki coupling

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Article information


Submitted
01 Jan 2021
Accepted
16 Apr 2021
First published
17 Apr 2021

J. Mater. Chem. A, 2021,9, 11427-11432
Article type
Paper

Molecular engineered palladium single atom catalysts with an M-C1N3 subunit for Suzuki coupling

J. Liu, Z. Chen, C. Liu, B. Zhang, Y. Du, C. Liu, L. Ma, S. Xi, R. Li, X. Zhao, J. Song, X. Z. Sui, W. Yu, L. Miao, J. Jiang, M. J. Koh and K. P. Loh, J. Mater. Chem. A, 2021, 9, 11427
DOI: 10.1039/D1TA00012H

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