Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance

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 cel...

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Bibliographic Details
Published inACS sustainable chemistry & engineering Vol. 9; no. 42; p. 14006
Main Authors Gunnarsson, Maria, Bernin, Diana, Hasani, Merima, Lund, Mikael, Bialik, Erik
Format Journal Article
LanguageEnglish
Published 25.10.2021
Subjects
Carbon capture
Carbonic acid hemiesters
Cellulose dissolution
Chemical Sciences
Electronic structure calculations
Kemi
Natural Sciences
Naturvetenskap
NMR
Organic carbonates
Teoretisk kemi
Theoretical Chemistry
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Summary: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.
ISSN:2168-0485
2168-0485
DOI:10.1021/acssuschemeng.1c05863