Ionic Bonding of Adsorbates on Surfaces: Theoretical Characterization and Observable Consequences

  • P. S. Bagus
  • G. Pacchioni
Part of the NATO ASI Series book series (NSSB, volume 283)


Three examples where the chemisorption bond is dominantly ionic are reviewed. One example is for a cationic adatom K/Cu(100), representative of alkali metals adsorbed on metals; the other two are for anionic adsorbed molecules, NO/Cu(100) and SCN/Ag(100). Several theoretical techniques for the evaluation of bond ionicity will be described and they will be applied in these three examples. Consequences of ionic bonds for adsorbate vibrational spectra, frequency and intensity, and for adsorbate geometry will be presented. It will be shown that ionic bonds do not have a directionality which gives a well defined energetic preference for particular geometric orientations of an adsorbate. As well as not being directional, ionic bonds may be reasonably strong; we speculate that the combination of these two features of ionic bonds may lead to situations of high surface reactivity.


Cluster Model Ionic Bond Electron Energy Loss Spectroscopy Ionic Character Occupied Orbital 


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Copyright information

© Plenum Press, New York 1992

Authors and Affiliations

  • P. S. Bagus
    • 1
  • G. Pacchioni
    • 2
  1. 1.IBM Research DivisionAlmaden Research CenterSan JoseUSA
  2. 2.Dip. di Chimica Inorganica e Metallorganica, Centro CNRUniversita’ degli Studi di MilanoMilanoItaly

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