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Trends and descriptors of heterogeneous hydroformylation activity and selectivity of RhM3 (M = Fe, Co, Ni, Cu and Zn) catalysts†
Zhongtian Mao,Haoyue Guo,Ping Liu
Catalysis Science & Technology Pub Date : 07/11/2022 00:00:00 , DOI:10.1039/D2CY00821A
Abstract

Monometallic Rh/MCM-41 and bimetallic RhM3/MCM-41 (M = Fe, Co, Ni, Cu, or Zn) catalysts are synthesized and tested for vapor-phase ethylene hydroformylation reaction. Co is found to exhibit a significant promotion effect on the selectivity of hydroformylation to C3 oxygenates, followed by Fe and Cu, with Ni and Zn showing a negative effect. DFT calculations reveal that the addition of a secondary metal can provide a new type of site, being able to selectively tune the binding energies of reaction intermediates, and thus lead to different catalytic performances.

Graphical abstract: Trends and descriptors of heterogeneous hydroformylation activity and selectivity of RhM3 (M = Fe, Co, Ni, Cu and Zn) catalysts
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