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

Mao, Zhongtian; Guo, Haoyue; Xie, Zhenhua; Liu, Ping; Chen, Jingguang G.

doi:10.1039/d2cy00821a

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

Journal Article · Mon Jul 11 00:00:00 EDT 2022 · Catalysis Science and Technology

DOI:https://doi.org/10.1039/d2cy00821a· OSTI ID:1889138

^[1]; ^[1]; Xie, Zhenhua ^[2]; ^[1]; ^[2]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)

Here 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.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0012704; AC02-05CH11231

OSTI ID:: 1889138

Alternate ID(s):: OSTI ID: 1877303

Report Number(s):: BNL-223442-2022-JAAM

Journal Information:: Catalysis Science and Technology, Journal Name: Catalysis Science and Technology Journal Issue: 16 Vol. 12; ISSN 2044-4753

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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