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The Structure Of The Formate Species On Copper Surfaces: New Photoelectron Diffraction Results And Sexafs Data Reassessed

D. Woodruff, Christopher McConville, A. Kilcoyne, T. Lindner, J. Somers, M. Surman, G. Paolucci, A. M. Bradshaw
Published 1988 · Chemistry

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Abstract Photoelectron diffraction from the C 1s and O 1s levels of the surface formate species (HCOO) on Cu{100} and Cu{110} has been measured and shows almost identical modulation structure indicating that the adsorption site is the same on both surfaces. Calculations show that the molecule adsorbs on the (short) bridge site in each case with the oxygen atoms close to atop positions and with a CuO nearest-neighbour distance of 1.98±0.04A and also indicate that the OCO bond angle may be increased to 134°. The bond lengthsagree with previous SEXAFS results but the sites differ and the reason for the discrepancies are discussed by reference to the results from model calculations of the SEXAFS data.
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