Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study
Year
: 2006
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 18–55 torr and the temperature of 541.2–583.4 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 6-31G* basis
set confirmed an asynchronous concerted mechanism for the reaction. Computed kinetic and activation parameters are in good agreement
with the experimental one.
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 18–55 torr and the temperature of 541.2–583.4 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 6-31G* basis
set confirmed an asynchronous concerted mechanism for the reaction. Computed kinetic and activation parameters are in good agreement
with the experimental one.
Keyword(s): 2-Pyridylacetic acid,Asynchronous concerted mechanism,Homogeneous,Pyrolysis,Gas phase kinetic,Unimolecular reaction
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Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study
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| contributor author | محمد ایزدیار | en |
| contributor author | N. Zamani | en |
| contributor author | M. R. Gholami | en |
| contributor author | Mohammad Izadyar | fa |
| date accessioned | 2020-06-06T14:32:48Z | |
| date available | 2020-06-06T14:32:48Z | |
| date issued | 2006 | |
| identifier uri | http://libsearch.um.ac.ir:80/fum/handle/fum/3401307 | |
| description 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 18–55 torr and the temperature of 541.2–583.4 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 6-31G* basis set confirmed an asynchronous concerted mechanism for the reaction. Computed kinetic and activation parameters are in good agreement with the experimental one. | en |
| language | English | |
| title | Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study | en |
| type | Journal Paper | |
| contenttype | External Fulltext | |
| subject keywords | 2-Pyridylacetic acid | en |
| subject keywords | Asynchronous concerted mechanism | en |
| subject keywords | Homogeneous | en |
| subject keywords | Pyrolysis | en |
| subject keywords | Gas phase kinetic | en |
| subject keywords | Unimolecular reaction | en |
| journal title | Chemical Physics | en |
| journal title | Chemical Physics | fa |
| pages | 394-400 | |
| journal volume | 330 | |
| journal issue | 3 | |
| identifier link | https://profdoc.um.ac.ir/paper-abstract-1017527.html | |
| identifier articleid | 1017527 |