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The role of vibrational excitation of a single mode in the scattering ofmethane is studied by wave packet simulations of oriented CH4 and CD4 moleculesfrom a flat surface. All nine internal vibrations are included. In thetranslational energy range from 32 up to 128 kJ/mol we find that initialvibrational excitations enhance the transfer of translational energy towardsvibrational energy and increase the accessibility of the entrance channel fordissociation. Our simulations predict that initial vibrational excitations ofthe asymmetrical stretch (nu_3) and especially the symmetrical stretch (nu_1)modes will give the highest enhancement of the dissociation probability ofmethane.

Bond breaking in vibrationally excited methane on transition-metal catalysts