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 in:ACS Sustainable Chemistry & Engineering
Main Authors: Gunnarsson, Maria, Bernin, Diana, Hasani, Merima, Lund, Mikael, Bialik, Erik
Format: Article in Journal/Newspaper
Language:English
Published: The American Chemical Society (ACS) 2021
Subjects:
Theoretical Chemistry
Carbon capture
Carbonic acid hemiesters
Cellulose dissolution
Electronic structure calculations
NMR
Organic carbonates
Carbonic acid
Online Access:https://lup.lub.lu.se/record/3478346e-5ac8-4ea0-9e73-7f52681ddbd3
https://doi.org/10.1021/acssuschemeng.1c05863
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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.

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