Cellobiose as a model system to reveal cellulose dissolution mechanism in acetate-based ionic liquids: Density functional theory study substantiated by NMR spectra
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- 作者：Bobo Caoa ; qufucaobobo@163.com" class="auth_mail" title="E-mail the corresponding author ; Jiuyao Dua ; jwyhbxr@163.com" class="auth_mail" title="E-mail the corresponding author ; Dongmei Dua ; dongmei1969@163.com" class="auth_mail" title="E-mail the corresponding author ; Haitao Suna ; sunhaitao1960@126.com" class="auth_mail" title="E-mail the corresponding author ; Xiao Zhua ; qfnu_zx@163.com" class="auth_mail" title="E-mail the corresponding author ; Hui Fub ; fuhui@upc.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：Cellulose ; Ionic liquid ; Hydrogen bond ; Dissolution mechanism ; DFT ; NMR spectra
- 刊名：Carbohydrate Polymers
- 出版年：2016
- 出版时间：20 September 2016
- 年：2016
- 卷：149
- 期：Complete
- 页码：348-356
- 全文大小：1940 K
文摘
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Cellulose dissolution mechanism in ILs was studied in experiment and DFT modeling.
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NMR spectra indicated hydrogen bonds were the driving force of dissolution.
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Hydrogen bonds were studied and characterized in AIM, RDG and NBO method.