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Kinetics and mechanism of the thermal decomposition of unsaturated aldehydes: benzaldehyde, 2-butenal, and 2-furaldehyde

Conference · · J. Phys. Chem.; (United States)
OSTI ID:5826778

The thermal unimolecular decomposition of benzaldehyde (BA), crotonaldehyde (CA), and furfural (FA) have been investigated in a flow reactor at very low pressures by modulated beam mass spectrometry above 1040 K. Each reaction proceeds by a different mechanism. Whereas BA decomposes by C(O)-H bond fission CA readily undergoes decarbonylation to propene via a three-center transition-state reaction. FA decomposition into vinylketene and CO involves ring opening followed by H-atom transfer in the resulting biradical. Overall high-pressure Arrhenius parameters for the three reactions are derived from kinetic data. 26 references, 4 figures, 1 table.

Research Organization:
Univ. of Mar Del Plata, Argentina
OSTI ID:
5826778
Journal Information:
J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 90:3; ISSN JPCHA
Country of Publication:
United States
Language:
English