Kinetic and mechanism of 2-PAA was studied in the gas phase experimentally. Kinetic data show that the reaction obeys the first order rate law and proceeds through a concerted mechanism. CO elimination from the reactant ...

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...

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....

proceeds through a six-centered cyclic transition state. Theoretical calculations show that propene elimination from the reactant can occur through an asynchronous concerted mechanism. A primary kinetic isotope effect of 2.21 for the reaction can...

. The mechanistic studies on the reaction show that the reaction proceeds through an asynchronous concerted mechanism. Theoretical calculations indicate that the reaction displays a kinetic isotope effect of 2.86 at 550.65 K....

processes rejected the stepwise mechanism and confirmed a five-membered cyclic TS for each reaction. The conversion

of the reactants to the products proceeds through an asynchronous concerted mechanism. Theoretical calculations indicate...