Systematic investigation of the role of the epoxides as substrates for CO<sub>2</sub> capture in the cycloaddition reaction catalysed by ascorbic acid
Thalía Ortiz-García, Sergio Posada‐Pérez, Layla El-Khchin, David Dalmau, Juan V. Alegre-Requena, Miquel Solà, Valerio D’Elia, Albert Poater
Abstract
A detailed computational analysis of CO 2 –epoxide cycloaddition to form cyclic carbonates under mild conditions, identifying in a predictive way key factors affecting reactivity, aiding catalyst design for CO 2 valorisation.
Topics & Concepts
Ascorbic acidCycloadditionChemistryOrganic chemistryCombinatorial chemistryCatalysisFood scienceCarbon dioxide utilization in catalysisChemistry and Chemical EngineeringCarbon Dioxide Capture Technologies