Mechanism of the self-condensation of GlcNH2: insights from in situ NMR spectroscopy and DFT study
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- 作者：Lingyu Jiaa ; b ; Xingchen Liuc ; Yan Qiaoc ; Christian Marcus Pedersend ; Zhenzhou Zhangb ; c ; Hui Gea ; Zhihong Weic ; Yanyan Chenc ; Xiaodong Wenc ; Xianglin Houa ; houxl@sxicc.ac.cn" class="auth_mail" title="E-mail the corresponding author ; Yingxiong Wanga ; wangyx@sxicc.ac.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：in situ NMR ; DFT calculations ; Reaction mechanism ; Chitin biomass
- 刊名：Applied Catalysis B: Environmental
- 出版年：2017
- 出版时间：March 2017
- 年：2017
- 卷：202
- 期：Complete
- 页码：420-429
- 全文大小：2943 K
文摘
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In situ NMR combined with ESI-MS spectrometry was applied to investigate reaction mechanism.
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Isotopic-labelling experiments disclose that there are two parallel pathways open to the intermediate dihydrofructosazine.
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DFT calculation indicates that [C2C1Im][OAc] is an acid-base dual activation catalyst in catalyzing DOF and FZ formation.
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