Theoretical and kinetic assessment of the mechanism of ethane hydrogenolysis on metal surfaces saturated with chemisorbed hydrogen

- Kinetic data and DFT used to study C-C rupture on Ir clusters.
- C2-intermediates formed by quasi-equilibrated adsorption and dehydrogenation.
- Close agreement between measured kinetic barrier and DFT-derived barriers.
- C-C cleavage occurs via *CHCH* > 107 times faster than for other intermediates.