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Abstract

Unoccupied bands of the Ni(110)/CO(2x1)p2mg chemisorption system were investigated by k-resolved inverse photoemission and by tight-binding extended-Hückel calculations. A detailed symmetry analysis reveals the effects of metal-CO backbonding in the CO-2(pi)-derived manifold. The CO-2(pi) metal-sp interaction, although comparable to the d interaction of some CO-2(pi) bands, affects the band topology only weakly and in a rather uniform manner. The study provides a quantitative assessment of the CO-2(pi)- metal-d and -sp interactions based on measurements of unoccupied bands.

Additional information

Authors: MEMMEL N, Max-Planck-Institut für Plasmaphysik, Garching bei München (DE);RANGELOV G, Max-Planck-Institut für Plasmaphysik, Garching bei München (DE);BERTEL E, Max-Planck-Institut für Plasmaphysik, Garching bei München (DE);DOSE V, Max-Planck-Institut für Plasmaphysik, Garching bei München (DE);KOMETER K, Technische Universität, Lehrstuhl für Theoretische Chemie, München (DE);RÖSCH N, Technische Universität, Lehrstuhl für Theoretische Chemie, München (DE);ROSCH N, Technische Universitat, Lehrstuhl fur Theoretische Chemie, Munchen (DE)
Bibliographic Reference: Article: Physical Review Letters, Vol. 63 (1989) pp. 1884-1887
Record Number: 199011327 / Last updated on: 1994-12-01
Category: PUBLICATION
Original language: en
Available languages: en