Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
Review
. 2021 Jun:105:107846.
doi: 10.1016/j.jmgm.2021.107846. Epub 2021 Jan 25.

A review of quantum chemical studies of Frustrated Lewis Pairs

Gitanjali Sharma  1 , Paul D Newman  1 , James A Platts  2
Affiliations
Review

A review of quantum chemical studies of Frustrated Lewis Pairs

Gitanjali Sharma et al. J Mol Graph Model. 2021 Jun.

Abstract

This review endeavours to explore the power of quantum chemistry, especially density functional theory (DFT) to unravel mechanisms underlying the fascinating field of FLP chemistry. Apart from the fundamental mechanism of hydrogen activation by FLPs, borylation, silylation, polymerization, formation of heterocycles, reaction with small gaseous molecules, alkenes, terminal alkynes have also been reviewed. The role of DFT in understanding regio-selectivity, steric effects, London dispersion and covalent Interactions in FLPs are also discussed.

Keywords: DFT; Frustrated Lewis Pairs (FLPs); Hydrogenation.

PubMed Disclaimer

Conflict of interest statement

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

LinkOut - more resources