Products Cited in Publications Worldwide Mechanistic insight into electrocatalytic CO2 reduction using Lewis acid-base pairs

Mechanistic insight into electrocatalytic CO2 reduction using Lewis acid-base pairs

Mahsasadat Boraghi; Travis A. White

DOI:

Abstract

In this study, fac-[Re(bpy)(CO)3Cl] (bpy = 2,2′-bipyridine) is used as a Lewis base catalyst and [Zn(cyclam)]2+(cyclam = 1,4,8,11-tetraazacyclotetradecane) is used as a Lewis acid co-catalyst. The thermodynamic effect of the [Zn(cyclam)]2+ on the redox activity of the ReI(bpy) catalyst for CO2 reduction has been investigated experimentally using cyclic voltammetry and computationally using density functional theory (DFT). Both experimental and computational results reveal that [Zn(cyclam)]2+ facilitates the Cl− ion dissociation by forming an inner-sphere interaction. As a result, the addition of [Zn(cyclam)]2+ shifts the ReI(bpy) first reduction to less negative potential, enabling the catalyst to be activated with less energy input. Moreover, we are proposing that [Zn(cyclam)]2+ decreases the CO2 reduction overpotential by the ReI(bpy) complex by stabilizing the CO2 binding energy.

Keywords

Electrocatalytic CO2 reduction ; Rhenium bipyridine ; Zinc cyclam ; Cyclic voltammetry ; DFT

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Cyclam

A112684295-37-497%

Cyclam

12.0/1g

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