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

doi:10.6023/cjoc201910028

Chinese Journal of Organic Chemistry ›› 2020, Vol. 40 ›› Issue (5): 1305-1309.DOI: 10.6023/cjoc201910028 Previous Articles Next Articles

共还原剂醛类对金属卟啉催化丙烯环氧化的作用研究

祁连山, 王涛, 魏永梅, 田恒水

华东理工大学化工学院上海 200237

收稿日期:2019-10-23 修回日期:2019-12-23 发布日期:2020-01-21
通讯作者: 田恒水 E-mail:hengshuitian@126.com

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

Qi Lianshan, Wang Tao, Wei Yongmei, Tian Hengshui

School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237

Received:2019-10-23 Revised:2019-12-23 Published:2020-01-21

1. 201305S.pdf(3321KB)

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

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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.

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共还原剂醛类对金属卟啉催化丙烯环氧化的作用研究

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

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