Jump to main content
Jump to site search


Understanding the role of frustrated Lewis pairs as ligands in transition metal-catalyzed reactions

Author affiliations

Abstract

The role of frustrated Lewis pairs (FLPs) as ligands in gold(I) catalyzed-reactions has been computationally investigated by using state-of-the-art density functional theory calculations. To this end, the nature of (P,B)-FLP–transition metal interactions in different gold(I)-complexes has been first explored in detail with the help of the energy decomposition analysis method, which allowed us to accurately quantify the so far poorly understood Au⋯B interactions present in these species. The impact of such interactions on the catalytic activity of gold(I)-complexes has been then evaluated by performing the Au(I)-catalyzed hydroarylation reaction of phenylacetylene with mesitylene. With the help of the activation strain model of reactivity, the factors governing the higher activity of Au(I)-complexes having a FLP as a ligand as compared to that of the parent PPh3 system have also been quantitatively identified.

Graphical abstract: Understanding the role of frustrated Lewis pairs as ligands in transition metal-catalyzed reactions

Back to tab navigation

Supplementary files

Article information


Submitted
18 Dec 2019
Accepted
02 Feb 2020
First published
04 Feb 2020

Dalton Trans., 2020, Advance Article
Article type
Paper

Understanding the role of frustrated Lewis pairs as ligands in transition metal-catalyzed reactions

J. J. Cabrera-Trujillo and I. Fernández, Dalton Trans., 2020, Advance Article , DOI: 10.1039/C9DT04806E

Social activity

Search articles by author

Spotlight

Advertisements