Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs

The chemistry of frustrated Lewis pair (FLP) is widely explored in the activation of small molecules, the hydrogenation of CO2, and unsaturated organic species. A survey of several experimental works on the activation of small molecules by FLPs and the related mechanistic insights into their reactivity from electronic structure theory calculation are provided in the present review, along with the catalytic hydrogenation of CO2. The mechanistic insight into H-2 activation is thoroughly discussed, which may provide a guideline to design more efficient FLP for H-2 activation. FLPs can activate other small molecules like, CO, NO, CO2, SO2, N2O, alkenes, alkynes, etc. by cooperative action of the Lewis centers of FLPs, as revealed by several computational analyses. The activation barrier of H-2 and other small molecules by the FLP can be decreased by utilizing the aromaticity criterion in the FLP as demonstrated by the nucleus independent chemical shift (NICS) analysis. The term boron-ligand cooperation (BLC), which is analogous to the metal-ligand cooperation (MLC), is invoked to describe a distinct class of reactivity of some specific FLPs towards H-2 activation.

Automated summary

This article provides a review of the chemistry of frustrated Lewis pair (FLP) in the activation of small molecules, hydrogenation of CO2, and unsaturated organic species. Experimental works and electronic structure theory calculations are used to gain mechanistic insights into the reactivity of FLPs. The findings can guide the design of more efficient FLP catalysts for hydrogen activation.