The Application of the 4n Series Method to Categorize Metalloboranes

2018

IJC

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The recent introduction of skeletal numbers has made it much easier to analyze and categorize a wide range of many chemical clusters. In the process, it has been found that a large number of transition metal clusters with and without ligands are capped and do possess closo nuclear clusters. On the basis of the nuclear index, the clusters have been categorized into groups. The categorization of the clusters will greatly assist in promoting deeper understanding and the synthesis of novel clusters and their applications. A simple concept of graph theory of capping clusters has been introduced.

Section: Brief Backgroundsupporting

confidence: 63%

Graph Theory of Chemical Series and Broad Categorization of Clusters

2018

IJC

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“…The procedure for categorization and structural prediction of fragments, molecules and clusters using the 4n series method is now well established (Kiremire, 2016a(Kiremire, , 2016b(Kiremire, , 2016c. What is more interesting and exciting is that on closer scrutiny of the 4n series method is that skeletal elements and ligands can actually be assigned skeletal k values.…”

Section: Assignment Of Skeletal Linkages (K Values) To Elementsmentioning

confidence: 99%

“…The recently developed 4n series method has been found to analyze and categorize atoms, molecules, fragments and clusters (Kiremire, 2016a(Kiremire, , 2016b(Kiremire, , 2016c. The method highly complements Wade-Mingos rules which have been in existence for more than forty years (Wade, 1991;Mingos, 1972Mingos, , 1984Mingos, , 1991.Other methods for dealing with electron counting in clusters have been devised (Lipscomb, 1976;King, 1986aKing, , 1986bJensen, 1978;Teo, et al, 1984;Wales, 2005;Wheeler and Hoffmann, 1986;Jemmis, et al, 2000Jemmis, et al, , 2001aJemmis, et al, , 2001b.…”

Section: Introductionmentioning

confidence: 99%

A Hypothetical Model for the Formation of Transition Metal Carbonyl Clusters Based upon 4n Series Skeletal Numbers

2016

IJC

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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.

“…The 4n(14n) series method developed in this work, in which n represents the number of skeletal elements in a cluster, can be used to categorize a wide range of clusters, among others, transition metal carbonyls, boranes, heteroboranes, metalloboranes, Zintl ions, and gold clusters (Kiremire, 2015a(Kiremire, , 2015b(Kiremire, ,2016c(Kiremire, ,2016d(Kiremire, , 2017. Using the series formula, the number of valence electrons of a given cluster can easily be calculated directly without counting the valence electrons of individual skeletal atoms and ligands.…”

Section: Resultsmentioning

confidence: 99%

The Outstanding Applications of Skeletal Numbers to Chemical Clusters

2017

IJC

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The evolution of the use of the 14/4n series method has resulted in the discovery of skeletal numbers. The skeletal numbers have rendered the testing of the 18-and 8-electron rules much easier and faster. In the same way, they have been very useful in simplifying the categorization of clusters, the prediction of shapes, and the matching of isolobal fragments. Furthermore, the skeletal numbers have made it possible to tentatively assign ligands to individual skeletal elements in such way that the 18-or 8-electron rule is obeyed. Thus, skeletal numbers can be utilized as a simple guide in analyzing and understanding clusters.