Structures and Bonding of Coinage Metal NPFM Clusters

Structures and Bonding of Coinage Metal NPFM Clusters 

Valence Bond Modeling of the Bonding in NPFM Ciusters of the Coinage Metais 

There are higher lying VB structures, which involve singly occupied and (n+l)p AOs. Some of these are ionic triplet configurations, such as which involves electron transfer from the nd 2 AO of one metal to the ( +l)s AO of the second, or which involves an electron transfer from the ( + l)s AO of one atom to the ( + l)p AO of the second. In addition, there are excited covalent configurations, where the two valence electrons occupy the (n-i- l)p AOs of the two atoms, as in or the nd 2 AOs of the two atoms, as in Thus, 

As we argued for lithium, the fundamental configuration is purely repulsive, 

These simplifications allow us to model the NPFM binding energy based on Eq. (6.6)  

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