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Chinese Journal of Organic Chemistry >

2020 , Vol. 40 >Issue 5: 1305 - 1309

DOI: https://doi.org/10.6023/cjoc201910028

Study on the Effect of Co-reductant Aldehydes on Epoxidation of Propylene Catalyzed by Metalloporphyrins

  • Qi Lianshan ,
  • Wang Tao ,
  • Wei Yongmei ,
  • Tian Hengshui
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  • School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237

Received date: 2019-10-23

  Revised date: 2019-12-23

  Online published: 2020-01-21

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Abstract

On the basis of density functional theory, theoretical calculation is conducted to obtain the free energy barriers of the reaction path, which may exist in the process of propylene epoxidation with co-reductant acrolein, propanal, crotonaldehyde, N-butyl aldehyde and isobutyl aldehyde respectively. And the optimal reaction path was determined to be free radical addition of peroxy acyl and propylene through analysis and comparison. In addition, the conclusion that auto-oxidation process of aldehydes and the decarboxylation in the reaction process have a certain influence on the epoxidation reaction can be conducted, and the results are in good consistent with the experimental data. It has a certain guiding effect on the choosing of co-reducing aldehydes.

Key words： theoretical calculation; propylene epoxidation; co-reductant

Cite this article

Qi Lianshan , Wang Tao , Wei Yongmei , Tian Hengshui . Study on the Effect of Co-reductant Aldehydes on Epoxidation of Propylene Catalyzed by Metalloporphyrins[J]. Chinese Journal of Organic Chemistry, 2020 , 40(5) : 1305 -1309 . DOI: 10.6023/cjoc201910028

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