Ab Initio Study on the Interaction of CO2 to the Acetate

Abstract

The increasing CO2 concentration in the atmosphere, which has been attributed to the burning of fossil fuels, is considered a major reason for global warming and a great threat to the environment. Because plant exhaust emissions are one of the major sources of atmospheric CO2, the separation and collection of CO2 from the combustion of fossil fuel has attracted worldwide attention. Therefore, it is important to examine techniques for the capture and release of CO2. Lewis bases, such as water, amines and amides, have been used as CO2 absorbents because CO2 acts as a Lewis acid. A group of carboxylate anions is one type of popular Lewis base. Recently, the possibility of amino acids with a carboxylate motif as a potential absorbent of CO2 was identified in an experimental study.1 The carbonyl group i