The calculated reaction potential surface is in Figure 2. Kinetic modelling using kinetic Monte Carlo has also been performed. Using these data, we show that the reaction proceeds through the intermediates CH3CH2CH3, CH3CHCH3, CH3CHCH2 and does not proceed to propyne at normal operating conditions (850 K, 1.5 atm, non-oxidative).
Hydrogen is formed as a side-product.