Entropy Effects on the Reaction Mechanism of the Gas-Phase Pyrolysis of Ethyl N,N-Dimethylcarbamate

초록

The pyrolysis mechanism of ethyl N,N-dimethylcarbamates is reexamined theoretically at various levels of theory.The effects of entropy changes are very mportant for determining the rate-determining step, and the entropy change of activation should be obtained by using the hindered rotor approximation to reproduce experimental results.