σ-π dative bond stabilizing copper active site drives CO₂ electrocatalysis to hydrocarbon.

ABSTRACT: Copper-based catalysts are the premier choice for electrochemical reduction of CO₂ (CO₂RR) into hydrocarbons or oxygenates. However, the facilely structural reconstruction of copper sites during electrolysis poses significant challenges to the long-life electrolytic efficiency. Herein, we leverage the strong σ-π dative bonding between Cu^δ+ and alkyne-based ligands to stabilize copper sites for the prolonged CO₂RR. We demonstrate the feasibility of taming the electronic structures of copper sites through the tug of war between σ and π backbonding interactions. The optimal copper organic polymer with methoxy group functionalization (OMe-PhCu) exhibits a moderate charge density of copper sites and an intensified local asymmetric charge distribution

SUBMITTER: Qian Z 

PROVIDER: S-EPMC12717051 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature