Mechanistic Investigation into the Rearrangement of Lactone into Methacrylic Acid over Phosphomolybdic Acid Catalyst

Author(s)
Nguyen, Ngoc Ha
Kendell, Shane
Le Minh, Cam
Brown, Trevor C
Publication Date
2010
Abstract
The rearrangement of 3-methyl-2-oxetanone (lactone) into methacrylic acid has been explored using DFT methods. Calculations were performed for (i) intra-molecular, (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).
Citation
Catalysis Letters, 136(1-2), p. 28-34
ISSN
1572-879X
1011-372X
Link
https://hdl.handle.net/1959.11/7271
Publisher
Springer New York LLC
Title
Mechanistic Investigation into the Rearrangement of Lactone into Methacrylic Acid over Phosphomolybdic Acid Catalyst
Type of document
Journal Article
Entity Type
Publication

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