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
Language
en
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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