Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance
Gunnarsson, Maria LU ; Bernin, Diana ; Hasani, Merima ; Lund, Mikael LU
and Bialik, Erik
LU
(2021)
In ACS Sustainable Chemistry and Engineering
9(42).
p.14006-14011
- Abstract
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.... (More)
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.
(Less)
- author
- Gunnarsson, Maria
LU
; Bernin, Diana
; Hasani, Merima
; Lund, Mikael
LU
and Bialik, Erik
LU
- organization
- publishing date
- 2021-10-25
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Carbon capture, Carbonic acid hemiesters, Cellulose dissolution, Electronic structure calculations, NMR, Organic carbonates
- in
- ACS Sustainable Chemistry and Engineering
- volume
- 9
- issue
- 42
- pages
- 6 pages
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- scopus:85118165373
- ISSN
- 2168-0485
- DOI
- 10.1021/acssuschemeng.1c05863
- language
- English
- LU publication?
- yes
- additional info
- Publisher Copyright: ©
- id
- 3478346e-5ac8-4ea0-9e73-7f52681ddbd3
- date added to LUP
- 2021-11-12 13:04:54
- date last changed
- 2023-04-02 19:02:31
@article{3478346e-5ac8-4ea0-9e73-7f52681ddbd3,
abstract = {{<p>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. </p>}},
author = {{Gunnarsson, Maria and Bernin, Diana and Hasani, Merima and Lund, Mikael and Bialik, Erik}},
issn = {{2168-0485}},
keywords = {{Carbon capture; Carbonic acid hemiesters; Cellulose dissolution; Electronic structure calculations; NMR; Organic carbonates}},
language = {{eng}},
month = {{10}},
number = {{42}},
pages = {{14006--14011}},
publisher = {{The American Chemical Society (ACS)}},
series = {{ACS Sustainable Chemistry and Engineering}},
title = {{Direct Evidence for Reaction between Cellulose and CO<sub>2</sub>from Nuclear Magnetic Resonance}},
url = {{http://dx.doi.org/10.1021/acssuschemeng.1c05863}},
doi = {{10.1021/acssuschemeng.1c05863}},
volume = {{9}},
year = {{2021}},
}