A Model Study of the Growth of Crystals Consisting of a Small Number of Metal Atoms by the Hückel Molecular Orbital Method (II) Addition of One Atom to (N + 1)-atomic Clusters

✍ Scribed by Prof. S. P. Delineshev; Dr. G. M. Bliznakov

• Publisher: John Wiley and Sons
• Year: 1982
• Tongue: English
• Weight: 368 KB
• Volume: 17
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.2170171102

✦ Synopsis

Abstract

The regularities of the formation of (N + 2)‐atomic clusters obtained by the growth of (N + 1)‐atomic clusters and the distribution of the (N + 2)‐atomic clusters according to their stability are studied. The most stable (N + 2)‐atomic cluster is not always obtained from the most stable (N + 1)‐atomic cluster. Sometimes it is formed by the least stable (N + 1)‐atomic cluster.

A necessary condition for the appearance of the most stable (N + 2)‐atomic cluster is the formation of a bond between the N + 2nd and the N + 1st atoms. This means that the most stable (N + 2)‐atomic cluster may be considered as obtained directly from the N‐atomic crystal by jumping over the stage of the (N + 1)‐atomic cluster and adding a dimer suitably oriented with respect to the N‐atomic crystal.

The least stable (N + 2)‐atomic cluster is always obtained from the least stable (N + 1)‐atomic cluster.