Steric and dispersion effect of chiral diphosphine ligand on copper-catalyzed enantioselective incorporation of CO<sub>2</sub>with styrene: a computational study-Reference-Cited by-同舟云学术

Steric and dispersion effect of chiral diphosphine ligand on copper-catalyzed enantioselective incorporation of CO₂with styrene: a computational study

Published:2023 Issue:31 Volume:47 Page:14856-14867
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Li Weiyi¹^ORCID,Li Cai-Qin²,Leng Geng³⁴

Affiliation:

1. School of Science, Key Laboratory of High Performance Scientific Computation, Xihua University, Chengdu, Sichuan, 610039, P. R. China

2. School of Chemistry and Chemical Engineering, Shanxi Datong University, Datong, 037009, China

3. School of Resources and Environment, University of Electronic Science and Technology of China, Chengdu 611731, P. R. China

4. TIianfu Co-Innovation Center, University of Electronic Science and Technology of China, Chengdu, 610299, P. R. China

Abstract

The π-facial selectivity in 1,2-hydrocuopration step is mainly controlled by ligand–substrate steric repulsion, while stereoselectivity of CO2insertion into the Cu–C bond is primarily determined by ligand–CO2dispersion stabilizing interactions.

Funder

Sichuan Province Science and Technology Support Program

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NJ/D3NJ02522E

Reference87 articles.

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