Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance
Journal article, 2021

The direct reaction between carbohydrates and CO2 has recently attracted attention in the context of cellulose dissolution and derivatization as well as carbon capture applications. We have directly demonstrated the formation of cellulose carbonate upon the introduction of CO2 into a non-aqueous cellulose solution by nuclear magnetic resonance spectroscopy. Comparison of the observed spectra with accurate electronic structure calculations of the changes in chemical shifts upon reaction allowed us to confirm the expectation that CO2 reacts with the hydroxyl group on carbon 6 of the cellulose but not exclusively this hydroxyl group. We found good agreement between predicted and measured chemical shifts using a simple computational method.

Carbonic acid hemiesters

Carbon capture

Cellulose dissolution

Organic carbonates

NMR

Electronic structure calculations

Author

Maria Gunnarsson

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Diana Bernin

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Chemical Process and Reaction Engineering

Merima Hasani

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Royal Institute of Technology (KTH)

Mikael Lund

Kemiska Institutionen

Lund University

Erik Bialik

Molecules in Motion

ACS Sustainable Chemistry & Engineering

2168-0485 (eISSN)

Vol. In Press

Subject Categories

Materials Chemistry

Theoretical Chemistry

Condensed Matter Physics

DOI

10.1021/acssuschemeng.1c05863

More information

Latest update

11/9/2021