Thermal isomerization of 3,6-dimethyltricyclo[3.1.0.0]hexane

Abstract

Thermal isomerization of the title compound yielded trans-3,6-dimethylcyclohexa-1,4-diene quantitatively in the gas phase by a first-order process. Rate constants determined between 156 and 204 °C yielded the Arrhenius equation: log k/s^–1= 14.062 ± 0.086 –(154 300 ± 740 J mol^–1)/RTIn 10

The evidence available suggests that the reaction is unimolecular and proceeds via a diradical. The relationship between this isomerization and those reported in the bicyclo[2.1.0]pentane system is discussed.