Probing the transition state region in catalytic CO oxidation on Ru
- Öström, H.
- Öberg, H.
- Xin, H.
- LaRue, J.
- Beye, M.
- Dell’Angela, M.
- Gladh, J.
- Ng, M.
- Sellberg, J.
- Kaya, S.
- Mercurio, G.
- Nordlund, D.
- Hantschmann, M.
- Hieke, F.
- Kühn, D.
- Schlotter, W.
- Dakovski, G.
- Turner, J.
- Minitti, M.
- Mitra, A.
- Moeller, S.
- Föhlisch, A.
- Wolf, M.
- Wurth, W.
- Persson, M.
- Nørskov, J.
- Abild-Pedersen, F.
- Ogasawara, H.
- Pettersson, L.
- Nilsson, A.
DOIAbstract
Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC–O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum ...
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