Issue 14, 2023

Bifunctionality of Zn dust in Ullmann C–C cross-coupling by Ni/Pd dual catalysis: theoretical insight

Abstract

In the Ni/Pd catalysed electrophilic Ullmann coupling reaction, Zn powder presents bifunctionality as a heterogeneous reducing agent and an organic zinc reagent promoting transmetalation. Metal halides MXn as additives are indispensable to promoting the dissociation of ZnX2 from the Zn(101) surface in the mode ZnX2·MXn, which assists the transmetalation to achieve the C(sp2)–C(sp2) cross-coupling reaction.

Graphical abstract: Bifunctionality of Zn dust in Ullmann C–C cross-coupling by Ni/Pd dual catalysis: theoretical insight

Supplementary files

Article information

Article type
Communication
Submitted
17 May 2023
Accepted
12 Jun 2023
First published
12 Jun 2023

Catal. Sci. Technol., 2023,13, 4064-4068

Bifunctionality of Zn dust in Ullmann C–C cross-coupling by Ni/Pd dual catalysis: theoretical insight

R. Gao, Y. Dong, B. Zhu and W. Guan, Catal. Sci. Technol., 2023, 13, 4064 DOI: 10.1039/D3CY00683B

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