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Tai Nguyen So - Vietnam National University, Ha Noi - VNU >
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http://tainguyenso.vnu.edu.vn/jspui/handle/123456789/13158
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| Title: | Mechanistic investigation into the rearrangement of lactone into methacrylic acid over phosphomolybdic acid catalyst |
| Authors: | Nguyen N.H.
Kendell S.
Le Minh C.
Brown T. |
| Keywords: | Catalyst
DFT
Lactone
Methacrylic acid
Oxidation |
| Issue Date: | 2010 |
| Publisher: | Catalysis Letters |
| Citation: | Volume 136, Issue 2-Jan, Page 28-34 |
| Abstract: | The rearrangement of 3-methyl-2-oxetanone (lactone) into methacrylic acid has been explored using DFT methods. Calculations were performed for (i) intramolecular, (ii) lactone-lactone and (iii) water and phosphomolybdic acid catalyzed conversions. The water and acid surface catalyzed route exhibited the lowest activation barrier (156 kJ mol-1) of the three reaction pathways and overall is slightly endothermic (ΔH f = 37 kJ mol-1). Graphical Abstract: The rearrangement of 3-methyl-2-oxetanone (lactone) into methacrylic acid is catalyzed by water and phosphomolybdic acid with an activation barrier of 156 kJ mol-1. © 2010 Springer Science+Business Media, LLC. |
| URI: | http://tainguyenso.vnu.edu.vn/jspui/handle/123456789/13158 |
| ISSN: | 1011372X |
| Appears in Collections: | New - Articles of Universities of Vietnam from Scopus
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