Abstract

The paper presents a highly refined work on broad categorization of clusters using the series method with emphasis on cluster valence content. In this regard, the K(n) parameter plays a crucial role. The K(n) parameters are interrelated and have been utilized to generate a cluster map of clusters. The cluster map of skeletal elements and their clusters can be extended indefinitely. The elements refer to main group and transition metal elements. The inter-conversion of K(n) parameter map into a selected portion of cluster valence electron content map was done indicating the origin of the cluster valence electron numbers which are sometimes associated with certain characteristic geometries. The map indicates that the main group and transition metal elements and their clusters are all interlinked via either the K(n) map or the cluster valence electron content map.

Highlights

  • The polyhedral skeletal electron pair theory (PSEPT) has been exceedingly helpful in analyzing chemical clusters for a very long time (Welch,2013;Wade,1971, 1976;Mingos,1972,1984a,1984b) and the electron counting is very important in this analysis (Tolmann,1972; Jemmis, et al,2001a,Jemmis,2001b, 2003,2005,2008; Jemmis, 2003,2008; Wales,2005;Vajenine&Hoffmann,1998;Mingos,1991;Teo,et al,1984;Rossi& Zanello,2011).Relatively recently, a strong desire arose to see whether or not the simple and complex carbonyl clusters were interrelated

  • The K(n) parameter brings together the clusters with the same skeletal number, K and the same number of skeletal elements,(n) which belong to the same cluster series S = 4n+q

  • A skeletal element or its cluster can be expressed by a single whole number referred to as K and is usually specified by adding n to it to produce the K(n) parameter where n represents the number of skeletal elements involved

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Summary

Introduction

The polyhedral skeletal electron pair theory (PSEPT) has been exceedingly helpful in analyzing chemical clusters for a very long time (Welch,2013;Wade,1971, 1976;Mingos,1972,1984a,1984b) and the electron counting is very important in this analysis (Tolmann,1972; Jemmis, et al,2001a,Jemmis,2001b, 2003,2005,2008; Jemmis, 2003,2008; Wales,2005;Vajenine&Hoffmann,1998;Mingos,1991;Teo,et al,1984;Rossi& Zanello,2011).Relatively recently, a strong desire arose to see whether or not the simple and complex carbonyl clusters were interrelated. It was found that the osmium carbonyl clusters follow the series S =14n+q (Kiremire, 2014, 2015a-e). This relationship was found to be true for other transition metal carbonyl clusters (Kiremire, 2016a-e). It was later generalized that the categorization of clusters could be done using the simpler series formula S =4n+q for both transition metals and main group clusters (Kiremire, 2016a). The K(n) parameters of molecules and clusters have been calculated(Kiremire,2017a-d). The skeletal numbers of elements which are used in calculating K(n) parameters of molecules and clusters are provided in the Appendix table. A [∶CO] ligand which donates 2 electrons has a K value of -1, while a Cp ligand which donates 5 electrons has a K value of -2.5

Results and Discussion
The Equivalence Relationship
Characteristic Cluster Valence Electron Counts and Geometrical Shapes
The Geometrical Puzzles of Some Clusters and the Series Approach
Categorization of Clusters Into Groups of Clans and Families
Conclusion
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