Issue 13, 2021
From the journal:

Catalysis Science & Technology

Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study†

Zhichao Wang,‡a   Lin Liu,‡b   Xufeng Ma,a   Yao Liu,a   Puke Mi,c   Zhen Liu ORCID logo *b  and  Jun Zhang ORCID logo *a  

* Corresponding authors

a Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Center, School of Chemistry and Molecular Engineering, East China University of Science and Technology, 130 Mei Long Road, Shanghai 200237, China
E-mail: zhangj@ecust.edu.cn

b School of Chemical Engineering, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China
E-mail: liuzhen@ecust.edu.cn

c Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China

Abstract

A two-carbon bridged diphosphine (PCCP) ligand bearing an ortho-methoxy substituent in the phosphine phenyl group has been synthesised and applied in Cr-catalysed ethylene oligomerization. Compared to previous catalysts, the Cr catalytic system exhibited a higher selectivity toward the C10 fraction of up to 28.4 wt%, achieving a high reactivity of up to 1530 kg/(g Cr/h). The major product produced by the Cr/PCCP catalyst is 1-hexene with a selectivity of 64.1%. A detailed theoretical investigation by DFT calculations on the co-trimerization of ethylene and 1-hexene shows that the coordination of the oxygen atom of a methoxy moiety to the chromium center might be a key factor for the highly selective formation of 1-hexene. Moreover, the calculation results are consistent with the experimental observations on the distribution of decene isomers.

Graphical abstract: Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study

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Article information

DOI
https://doi.org/10.1039/D1CY00423A
Article type
Paper
Submitted
10 Mar 2021
Accepted
07 May 2021
First published
07 May 2021

Catal. Sci. Technol., 2021,11, 4596-4604

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Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study

Z. Wang, L. Liu, X. Ma, Y. Liu, P. Mi, Z. Liu and J. Zhang, Catal. Sci. Technol., 2021, 11, 4596 DOI: 10.1039/D1CY00423A

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