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On Shustorovich's Bond-Order conservation method as applied to chemisorption

✍ Scribed by R. A. van Santen

Book ID
104589138
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
353 KB
Volume
109
Category
Article
ISSN
0165-0513

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✦ Synopsis

Abstract

The Bond‐Order Conservation principle is shown to be rigorously true within the Valence‐Bond approximation excluding ionogenic terms. After a short discussion of Shustorovich's adaptation of this method to chemisorption on metals, a new improved expression for the activation energy of dissociation is derived, based on a transition‐state model derived from Extended Hückel calculations.

It appears to be essential to account for the weakening of the surface‐surface metal bonds.

New expressions for atomic and molecular adsorption energies are derived.

A major result of this work is a significant reduction in the activation energy for dissociation due to loss of surface metal‐metal atom bonding upon chemisorption.

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