Effect of thermal activation on the reaction of toluene with hydrogen atoms

The effect of temperature on the reaction of toluene with hydrogen atoms is interpreted by the RRKM(Marcus–Rice) unimolecular rate theory. It was found that the product distribution changed markedly with temperature in the range of 300–780°K. Methyl-cyclohexadienes and methylcyclohexenes were the main products in the vicinity of room temperature, which were taken over by benzene and ethylbenzene as temperature increased. The calculation based on RRKM theory shows that the experimental results are explained in terms of the effect of temperature on the unimolecular reactions of the chemically activated methylcyclohexadienyl radicals.