Shenvi Neil, Roy Sharani, Parandekar Priya, Tully John
Department of Chemistry, Yale University, New Haven, Connecticut 06520, USA.
J Chem Phys. 2006 Oct 21;125(15):154703. doi: 10.1063/1.2357740.
Recent experiments have demonstrated the breakdown of the Born-Oppenheimer approximation when NO undergoes inelastic scattering from a Au(111) surface. In this paper, we provide a simple theoretical model for understanding this phenomenon. Our model predicts multiquanta vibrational relaxation through the creation of high-energy electron-hole pair excitations in the metal. Using experimentally determined parameters, our model gives qualitatively accurate predictions for the final vibrational state populations of the scattered molecule and predicts efficient conversion of vibrational energy into electronic energy.
