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Mutual influence of rotational and vibrational energy transfer of molecules at surfaces.

The recently observed anticorrelation between kinetic energy transfer to rotations and lattice vibrations in gas-surface collisions is investigated theoretically. Quantum effects for the rotational motion are taken into account in the sudden approximation. The lattice is treated in linear-response theory (valid both quantum mechanically and classically), and the translational motion is treated classically. The results agree well with exact quantum-mechanical coupled-channel calculations in simple cases. Experimental results for NO on oxidized Ge are described satisfactorily.