Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley−Rideal Mechanism

The associative desorption of HD (ν, j ) and D 2 (ν, j ) on a graphite(0001) surface via an Eley−Rideal mechanism has been studied theoretically using a time-dependent wave packet method. We find that product molecules are formed rovibrationally excited and translationally hot. When comparing the different products to earlier calculations on the formation of H 2 on graphite(0001), we find significant isotope effects and possible resonant transitions during the reaction, which might have consequences for the possible detection of highly excited H 2 in dense intermolecular clouds.