Hypercarbons in polyhedral structures

2018

IJC

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: Introductionmentioning

confidence: 99%

Graph Theory of Chemical Series and Broad Categorization of Clusters

2018

IJC

“…The principle ably links the concepts of organic, inorganic and organometallic chemistry (Hoffmann, 1982) by using chemical fragments. The fragments are extremely useful in explaining numerous carbonyl and borane shapes of clusters which have attracted the attention of scientists for many years ( Lipscomb, 1963, Wade, 1971,1976, Rudolph, 1976, Pauling, 1977, Jensen, 1978, Cotton, et al, 1980, Mingos,1972, 1984, Douglas, et al, 1994, King, 2002, Jemmis, 2001a, 2001b,2002, 2003,2006, 2008, Bowen, et, al, 2007, King, et al, 2009, Welch, 2013. It was recently discovered that transition metal carbonyl clusters could readily be categorized using a matrix table (Kiremire, 2016a(Kiremire, , 2016b derived from 14n-based series.…”

Section: Introductionmentioning

confidence: 99%

The Main Group Elements, Fragments, Compounds and Clusters Obey the 4n Rule and Form 4n Series: They are Close relatives to Transition Metal Counterparts via the 14n Linkage

2016

IJC

The paper presents numbers which were derived from 4n-based series in a matrix table. The numbers agree precisely with the total number of valence electrons surrounding the respective skeletal elements. The series approach focuses mainly on the number of skeletal elements and their respective number of valence electron content regardless of the origin of the electrons and the type of skeletal elements. For instance, any 6 skeletal elements of transition metal carbonyls surrounded by 86 valence electrons coded as (6,86), series S = 14n+2 normally adopt an octahedral geometry whereas (6,26) series S = 4n+2 for main group elements also tend to adopt an octahedral shape. The transition metal carbonyl cluster series were extensively covered in our previous articles. This paper demonstrates that the main group fragments, clusters and molecules which we normally explain by terms such as valency, valence electrons and octet rule also obey the 4n-based series. The fragments, molecules and clusters of the main group elements correspond well to those of respective transition metal clusters especially the carbonyls if the masking electrons are removed from them. Hence, the series approach is a qualitative method that acts as a unifier of some transition metal clusters with some main group elements clusters.

“…Arising from the unique polyhedral structures and potential applications, the clusters have continued to fascinate many scientists (Lipscomb, 1963;Wade, 1971Wade, , 1976Pauling, 1977;Mingos, 1972Mingos, , 1984Hawthorne, et al, 1999;Jemmis, 2005;Jemmis, et al, 2006;Jemmis, et al, 2008;Welch, 2013). Wade-Mingos rules have been exceedingly useful in categorizing and predicting the shapes of clusters (Wade, 1971(Wade, , 1976Mingos, 1972Mingos, , 1984Welch, 2013).…”

Section: Introductionmentioning

confidence: 99%

Carbonyl Chalcogenides Clusters Existing as Disguised Forms of Hydrocarbon Isomers

2016

IJC

The 4n Series Method has been utilized to categorize, analyze and predict structures for transition metal carbonyl, borane, hydrocarbon and Zintl ion clusters. The method is being extended to study carbonyl chalcogenide clusters. Adequate examples have been given to demonstrate the application of the 4n series method to categorize clusters and where possible predict their possible skeletal structures. In this paper, the method is being applied to the study of carbonyl chalcogenide cluster complexes. What has been found is the striking structural similarity of a wide range of carbonyl chalcogenide clusters to those of corresponding hydrocarbon clusters. It was observed that when a derived hydrocarbon from a cluster, F CH = C n H q , is such that nq, the "hydrocarbon character" becomes reduced and the typical cluster tendencies increase. When n = q, the situation becomes more or less a borderline case. When q=0, then F CH = C n . When the series becomes bi-capped or more, then the equivalent carbon cations are obtained.