| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5376598 | Chemical Physics | 2006 | 7 Pages |
Abstract
A combination of the experimental and theoretical study was carried out on the reaction mechanism associated with the pyrolysis of 2-pyridylacetic acid in the gas phase. Methylpyridine and carbon dioxide were analyzed as the products, using a static system over the pressure range of 18-55Â torr and the temperature of 541.2-583.4Â K. The experimental kinetic data show that the pyrolysis process is homogeneous, unimolecular and proceeds through a concerted mechanism. Theoretical studies at the B3LYP level using the 6-31Gâ basis set confirmed an asynchronous concerted mechanism for the reaction. Computed kinetic and activation parameters are in good agreement with the experimental one.
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Authors
M. Izadyar, N. Zamani, M.R. Gholami,