Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups

Overview

Journal J Phys Chem A

Publisher American Chemical Society

Specialty Chemistry

Date 2021 Aug 10

PMID 34375528

Citations 3

Authors

Maxime Ferrer

Ibon Alkorta

Jose Elguero

Josep M Oliva-Enrich

Affiliations

Soon will be listed here.

Abstract

Frustrated Lewis pairs (FLPs) based on nitrogen heterocycles (pyridine, pyrazole, and imidazole) with a silane or germane group in the α-position of a nitrogen atom have been considered as potential molecules to sequestrate carbon dioxide. Three stationary points have been characterized in the reaction profile: a pre-reactive complex, an adduct minimum, and the transition state connecting them. The effect of external (solvent) or internal (hydroxyl group) electric fields in the reaction profile has been considered. In both cases, it is possible to improve the kinetics and thermodynamics of the complexation of CO by the FLP and favor the formation of adducts.

Citing Articles

Understanding the coupling of non-metallic heteroatoms to CO from a Conceptual DFT perspective.

Ferrer M, Elguero J, Alkorta I, Azofra L J Mol Model. 2024; 30(7):201.

PMID: 38853233 PMC: 11162977. DOI: 10.1007/s00894-024-05992-3.

Reactivity of a model of BP-doped nanographene with up to three CO molecules.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich J Sci Rep. 2023; 13(1):2407.

PMID: 36765069 PMC: 9918725. DOI: 10.1038/s41598-023-29336-y.

Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich J Chemphyschem. 2022; 23(18):e202200204.

PMID: 35703469 PMC: 9796958. DOI: 10.1002/cphc.202200204.

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