Abstract
<p>Skeletal numbers of elements have been introduced as derivatives of the 4n series method. They are based on the number of valence electrons present in the skeletal element. They are extremely useful in deducing possible shapes of skeletal elements in molecules or clusters especially the small to medium ones. For large skeletal clusters, the skeletal numbers may simply be regarded as identity numbers. In carbonyl clusters, they can be used as a guide to facilitate the distribution of the ligands such as CO, H and charges onto the skeletal atoms. A naked skeletal cluster may be viewed as a reservoir for skeletal linkages which get utilized when ligands or electrons get bound to it. The sum of linkages used up by the ligands bound to a skeletal fragment and the remaining cluster skeletal numbers is equal to the number of the skeletal linkages present in the original ‘naked parent’ skeletal cluster. The skeletal numbers can be used as a quick way of testing whether or not a skeletal atom obeys the 8-or 18-electron rules.</p>
Highlights
The recently developed 4n series method has been found to analyze and categorize atoms, molecules, fragments and clusters (Kiremire, 2016a, 2016b, 2016c)
The sum of linkages used up by the ligands bound to a skeletal fragment and the remaining cluster skeletal numbers is equal to the number of the skeletal linkages present in the original „naked parent‟ skeletal cluster
What is more interesting and exciting is that on closer scrutiny of the 4n series method is that skeletal elements and ligands can be assigned skeletal k values
Summary
The recently developed 4n series method has been found to analyze and categorize atoms, molecules, fragments and clusters (Kiremire, 2016a, 2016b, 2016c). On closer scrutiny of the 4n series method, it has become apparent that we could go further and assign skeletal linkage numbers to elements and ligands which greatly simplifies the prediction of structures of molecules and clusters. The skeletal numbers are especially very helpful in assigning a specific number of carbonyl ligands to skeletal metal elements and generating carbonyl cluster isomers. It makes it easier to deduce whether or not clusters obey the 18-electron rule. The impact of this work has been to introduce the concept of assigning skeletal numbers to the atoms of the main group elements and the transition metals
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