A periodic-DFT study of retro-aldol fragmentation of fuctose on MoO₃

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• 作者：Evangelos Miliordos^a ; Stavros Caratzoulas^a ; ^{cstavros@udel.edu} ; Dionisios G. Vlachos^a ; ^b
• 关键词：Retro-aldol fragmentation ; Density-functional theory ; Fructose ; Alkyl lactates ; Molybdenum oxide ; Heterogeneous catalysis
• 刊名：Applied Catalysis A: General
• 出版年：2017
• 出版时间：25 January 2017
• 年：2017
• 卷：530
• 期：Complete
• 页码：75-82
• 全文大小：1916 K
• 卷排序：530

文摘

DFT investigation of retro-aldol fragmentation and epimerization of fructose over MoO3. Retro-aldol and epimerization pathways compete with each other. Sn-MFI zeolite catalyzes the conversion of fragmentation products into alkyl lactates.