Reaction Mechanism of CO₂ with Choline-Amino Acid Ionic Liquids: A Computational Study.

ABSTRACT: Carbon capture and sequestration are the major applied techniques for mitigating CO2 emission. The marked affinity of carbon dioxide to react with amino groups is well known, and the amine scrubbing process is the most widespread technology. Among various compounds and solutions containing amine groups, in biodegradability and biocompatibility perspectives, amino acid ionic liquids (AAILs) are a very promising class of materials having good CO2 absorption capacity. The reaction of amines with CO2 follows a multi-step mechanism where the initial pathway is the formation of the C-N bond between the NH2 group and CO2. The added product has a zwitterionic character and can rearrange to give a carbamic derivative. These steps of the mechanism have been investigated in the present study by quant

SUBMITTER: Ramondo F 

PROVIDER: S-EPMC9689648 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature