Abstract

Our bond-order-conservation model of surface migration of molecular AB adsorbates [J. Am. Chem. Soc. 106 (1984) 6479] has been generalized to provide for A-B bond-order changes under migration and to search for energy stationary points. The results are rigorous and well defined. The new conclusions corroborate most of the previous findings but also lead to important corrections (e.g., the mogration patterns of donor molecules) and new projections (e.g., monotonic destabilization of AB as its coordination increases without direct relevance to the heat of chemisorption and simple interrelations between molecular and atomic heats of chemisorption), in agreement with experiment.

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