Title : ( Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study )
Authors: Mohammad Izadyar , N. Zamani , M. R. Gholami ,
Full TextAbstract
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.
Keywords
, 2, Pyridylacetic acid; Asynchronous concerted mechanism; Homogeneous; Pyrolysis; Gas phase kinetic; Unimolecular reaction
@article{paperid:1017527,
author = {Izadyar, Mohammad and N. Zamani and M. R. Gholami},
title = {Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study},
journal = {Chemical Physics},
year = {2006},
volume = {330},
number = {3},
month = {January},
issn = {0301-0104},
pages = {394--400},
numpages = {6},
keywords = {2-Pyridylacetic acid; Asynchronous concerted mechanism; Homogeneous; Pyrolysis; Gas phase kinetic; Unimolecular reaction},
}
%0 Journal Article
%T Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study
%A Izadyar, Mohammad
%A N. Zamani
%A M. R. Gholami
%J Chemical Physics
%@ 0301-0104
%D 2006
