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Journal Article

The geometric structure of the surface methoxy species on Cu(111)

MPS-Authors
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Hofmann,  Philip
Fritz Haber Institute, Max Planck Society;

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Schindler,  Karl-Michael
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

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Bao,  Shining
Fritz Haber Institute, Max Planck Society;

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Fritzsche,  V.
Fritz Haber Institute, Max Planck Society;

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Ricken,  Detlef E.
Fritz Haber Institute, Max Planck Society;

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Bradshaw,  Alexander M.
Fritz Haber Institute, Max Planck Society;

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Citation

Hofmann, P., Schindler, K.-M., Bao, S., Fritzsche, V., Ricken, D. E., Bradshaw, A. M., et al. (1994). The geometric structure of the surface methoxy species on Cu(111). Surface Science, 304(1-2), 74-84. doi:10.1016/0039-6028(94)90754-4.


Cite as: https://hdl.handle.net/21.11116/0000-0009-99AF-6
Abstract
The adsorption geometry of the surface methoxy species (-OCH3) on Cu(111) has been determined quantitatively using scanned energy mode photoelectron diffraction in a two-step approach. First, using direct methods it was established that the fragment adsorbs via the oxygen atom at the “fcc” three-fold adsorption site. Subsequently, the structural parameters were refined by a search in multi-parameter space using diffraction spectra obtained in different emission geometries. The oxygen atom is found to be situated 1.32(±0.05) Å above the three nearest-neighbour copper atoms with the O-C axis essentially perpendicular to the surface. The O-C distance is 1.42(−0.03/+ 0.10) Å; a relaxation as well as a rumple of the outermost Cu layer occur.