Probing the transition state region in catalytic CO oxidation on Ru | Zendy

H. Öström | Zendy; H. Öberg | Zendy; Hongliang Xin | Zendy; Jerry LaRue | Zendy; Martin Beye | Zendy; Martina Dell’Angela | Zendy; Jörgen Gladh | Zendy; May Ling Ng | Zendy; Jonas A. Sellberg | Zendy; Sarp Kaya | Zendy; Giuseppe Mercurio | Zendy; Dennis Nordlund | Zendy; Markus Hantschmann | Zendy; F. Hieke | Zendy; Danilo Kühn | Zendy; W. F. Schlotter | Zendy; Georgi L. Dakovski | Zendy; Joshua J. Turner | Zendy; Michael P. Minitti | Zendy; A. Mitra | Zendy; Stefan Moeller | Zendy; Alexander Föhlisch | Zendy; Martin Wolf | Zendy; W. Würth | Zendy; Mats Persson | Zendy; Jens K. Nørskov | Zendy; Frank AbildPedersen | Zendy; Hirohito Ogasawara | Zendy; Lars G. M. Pettersson | Zendy; Anders Nilsson | Zendy

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Probing the transition state region in catalytic CO oxidation on Ru

Author(s) -

H. Öström,

H. Öberg,

Hongliang Xin,

Jerry LaRue,

Martin Beye,

Martina Dell’Angela,

Jörgen Gladh,

May Ling Ng,

Jonas A. Sellberg,

Sarp Kaya,

Giuseppe Mercurio,

Dennis Nordlund,

Markus Hantschmann,

F. Hieke,

Danilo Kühn,

W. F. Schlotter,

Georgi L. Dakovski,

Joshua J. Turner,

Michael P. Minitti,

A. Mitra,

Stefan Moeller,

Alexander Föhlisch,

Martin Wolf,

W. Würth,

Mats Persson,

Jens K. Nørskov,

Frank AbildPedersen,

Hirohito Ogasawara,

Lars G. M. Pettersson,

Anders Nilsson

Publication year - 2015

Publication title -

science

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 12.556

H-Index - 1186

eISSN - 1095-9203

pISSN - 0036-8075

DOI - 10.1126/science.1261747

Subject(s) - femtosecond , carbon monoxide , ruthenium , picosecond , photochemistry , laser , density functional theory , catalysis , ultrafast laser spectroscopy , chemistry , atomic physics , absorption (acoustics) , materials science , molecular physics , optics , physics , computational chemistry , biochemistry , composite material

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 oscillator model.

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