scholarly journals Categorization of Transition Metal Carbonyl Clusters using Skeletal Numbers and the Six Fundamental Equations for calculating Cluster Valence Electrons (CVE)

2019 ◽  
Vol 1 (2) ◽  
pp. 35-45
Author(s):  
Enos Masheija Rwantale Kiremire
2016 ◽  
Vol 8 (4) ◽  
pp. 78
Author(s):  
Enos Masheija Rwantale Kiremire

<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>


2016 ◽  
Vol 8 (1) ◽  
pp. 109
Author(s):  
Enos Masheija Rwantale Kiremire

<p>A matrix table of valence electron content of carbonyl clusters has been created using the 14n-based series. The numbers so generated form an array of series which conform precisely with valence electron contents of carbonyl clusters. The renowned 18 electron rule is a special case of 14n+4 series. Similarly, the 16 electron rule is another special case of the 14n+2 series. Categorization of the carbonyl clusters using the matrix table of series has been demonstrated. The table is so organized that clusters numerically represented can easily be compared and analyzed. The numbers that are diagonally arranged from right to left represent capping series. The row from right to left represents a decrease in valence electron content with increase in cluster linkages. The variation of cluster shapes of constant number of skeletal elements especially four or more may be monitored or compared with the variation with the valence electron content.</p>


1987 ◽  
Vol 139 (3-4) ◽  
pp. 336-344 ◽  
Author(s):  
S.R. Drake ◽  
P.P. Edwards ◽  
B.F.G. Johnson ◽  
J. Lewis ◽  
E.A. Marseglia ◽  
...  

2020 ◽  
Vol 26 (54) ◽  
pp. 12373-12381
Author(s):  
Wiebke Unkrig ◽  
Konstantin Kloiber ◽  
Burkhard Butschke ◽  
Daniel Kratzert ◽  
Ingo Krossing

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