Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates

Author:

Müller Philipp1234,Bucior Benjamin5678ORCID,Tuci Giulia91011ORCID,Luconi Lapo91011,Getzschmann Jürgen1234,Kaskel Stefan1234ORCID,Snurr Randall Q.5678ORCID,Giambastiani Giuliano910111213ORCID,Rossin Andrea91011ORCID

Affiliation:

1. Institute of Inorganic Chemistry

2. Technische Universität Dresden

3. D-01062 Dresden

4. Germany

5. Department of Chemical and Biological Engineering

6. Northwestern University

7. Evanston

8. USA

9. Istituto di Chimica dei Composti Organometallici (ICCOM-CNR)

10. 50019 Sesto Fiorentino

11. Italy

12. Institute of Chemistry and Processes for Energy

13. Environment and Health (ICPEES)

Abstract

A combined theoretical–experimental approach has been exploited for the design of a zirconium bithiazole-based MOF for CO2 adsorption and its reaction with epoxides under green conditions.

Funder

Ministero dell'Istruzione, dell'Università e della Ricerca

National Science Foundation

Agence Nationale de la Recherche

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

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