Abstract
A topological index is a number generated from a molecular structure (i.e., a graph) that indicates the essential structural properties of the proposed molecule. Indeed, it is an algebraic quantity connected with the chemical structure that correlates it with various physical characteristics. It is possible to determine several different properties, such as chemical activity, thermodynamic properties, physicochemical activity, and biological activity, using several topological indices, such as the geometric-arithmetic index, arithmetic-geometric index, Randić index, and the atom-bond connectivity indices. Consider as a group and H as a non-empty subset of . The commuting graph , has H as the vertex set, where are edge connected whenever and commute in . This article examines the topological characteristics of commuting graphs having an algebraic structure by computing their atomic-bond connectivity index, the Wiener index and its reciprocal, the harmonic index, geometric-arithmetic index, Randić index, Harary index, and the Schultz molecular topological index. Moreover, we study the Hosoya properties, such as the Hosoya polynomial and the reciprocal statuses of the Hosoya polynomial of the commuting graphs of finite subgroups of . Finally, we compute the Z-index of the commuting graphs of the binary dihedral groups.
1. Introduction
The quantitative structure–property relationships (QSPR) studies are provided by the physicochemical characteristics (for example, the stability, boiling point, and strain energy) and the topological indices; namely, the geometric-arithmetic (GA) index, the atom-bond connectivity (ABC) index, as well as the Randić index to identify the biocompatibility of the chemical substances. In fact, a topological index is created by converting a chemical structure (i.e., a graph) to a numeric value. It is a numeric number that quantifies the symmetry of a molecular structure, defines its topology, and is unchangeable under a function that preserves the structure [1]. Certain aspects of chemical compounds with a molecular structure may be investigated using several kinds of topological indices. In Wiener developed the notion of the first topological index, which he termed the path number while exploring the boiling point of paraffin [2]. As a consequence, the Wiener index was made, which led to the idea of topological indices. Numerous degree-based and distance-based topological indices have been presented and deliberated in recent years, see for instance [3,4,5,6].
Well-known chemists utilized Pólya’s [7] approach to calculating polynomials to determine the molecular orbital of unsaturated hydrocarbons. The spectrum of a graph has been widely investigated in this context. Hosoya [8] developed this concept in 1988 to calculate the polynomials of various important chemical graphs, referred to as the Hosoya polynomials. Sagan et al. [9] renamed the Hosoya polynomial the Wiener polynomial in 1996. However, most experts keep referring to it as the Hosoya polynomial. The Hosoya polynomial may be used to gain information on distance-based graph invariants. In [10], Cash identified a relationship between the hyper Wiener index and the Hosoya polynomial. Estrada et al. [11] focused on various innovative applications of the extended Wiener indices.
We discuss simple graphs in this article, that is, graphs that do not include loops or multiple edges. Consider as a group and H as a non-empty subset of . The commuting graph has H as the vertex set, where are edge connected whenever and commute in . Throughout the paper, we denote as the commuting graph of a group . Many researchers have examined the commuting graphs in a variety of contexts, including groups of matrices [12,13], commutative rings with zero-divisors [14,15,16,17], the dihedral groups [18,19,20,21], and the authors of [22,23] discuss several characteristics of the automorphism groups and their associated commuting graphs.
Iranmanesh and Jafarzadeh presented [24] that, for the commuting graphs of and , respectively, the alternating and symmetric groups of n letters are either disconnected or have a diameter of at most 5. They conjecture in the same paper that an absolute upper limit exists on the diameter of a connected commuting graph of a non-abelian finite group. This conjecture was disproved in [25], which demonstrated an endless collection of special two-groups having commuting graphs of increasing diameter. The central notion of the conjecture, on the other hand, is not far off the mark. Later on, in [26], the authors demonstrated that for every finite group having a trivial centre, any connected component of the commuting graph of has a diameter of no more than 10. Additionally, several researchers have explored the non-commuting graphs, the connectedness of the commuting graphs, and their metric dimensions, as shown by [27,28,29].
A matched or independent edge set is a group of edges that have no common vertices. The term “matched” refers to a vertex that is coincident with one of the matching edges. Otherwise, an unmatched vertex exists. The Z-index or the Hosoya index denotes the greatest number of matchings in a graph. Hosoya [30] proposed the Hosoya index in 1971 and later developed it as a general utensil for physical chemistry in [31]. It has now been shown to be effective in a wide range of molecular chemistry problems, including boiling point determination, entropy, and the heat of vaporization. The Hosoya index is a well-known case of a topological index that has considerable importance in combinatorial chemistry. Various researchers examined extremal difficulties relating to the Hosoya index while exploring a variety of graph structures. In [32,33,34], the extreme properties of various graphs, including unicyclic graphs and trees, were intensively examined.
As provided bounds, Bates et al. [35] examined the commuting involution graphs of special linear groups over fields of characteristic 2. The disc diameters of two and three-dimensional special linear groups are determined. They further presented examples of unbounded dimension commuting involution graphs. The authors of [36] studied the Hosoya characteristics of the non-commuting graphs, while the authors of [3] examined the Hosoya characteristics of the power graphs of finite non-abelian groups. Motivated by their work, we extended the work in [3,35] and focused our attention on the commuting graphs of finite subgroups of . This article investigates almost all of the topological properties of the commuting graphs of finite subgroups of (as listed in Table 1). It is very challenging to calculate the (reciprocal) Hosoya polynomial, as well as the Hosoya index of the commuting graph of a group . In this regard, we provide both the Hosoya and the reciprocal statuses of Hosoya polynomials. We also discuss the Hosoya index of the commuting graph of a finite group .
There are still gaps in the current literature regarding the determination of several topological invariants, the Hosoya polynomials, the reciprocal status of Hosoya polynomials, and the Z-index (Hosoya index) of the commuting graphs of finite subgroups of . The obvious reason is that neither the structure of the commuting graphs is fully characterized nor is it possible to establish handy formulae for these graph invariants for general classes of graphs. In this article, we find all the indices of the commuting graphs as presented in Table 1. We further make an effort and look at one of these problems in this article.
The rest of the paper is organized as follows: Section 2 contains some relevant results and useful definitions for this paper. In Section 3, we explore the construction of vertex and edge partitions. In Section 4, we find numerous topological indices of the commuting graphs of the binary dihedral groups. Section 5 discusses the construction of finite subgroups of , and their Hosoya properties. The conclusion and future work of the paper is given in Section 7.
2. Basic Notions and Notations
This part reviews several fundamental graph-theoretic properties and well-known findings that will be important later in the article.
Suppose is a simple finite undirected graph. The vertex and edge sets of are represented by and respectively. The distance from to in a connected graph represented by is the shortest distance between and . The total number of vertices denoted by is the order of . Two vertices, and , are adjacent if there is an edge between them, and we denote them by ; otherwise, The neighbourhood of u is a collection of all vertices in that are connected to u is indicated by . The valency or degree represented by of is the collection of vertices in , which are adjacent to , and is the degree sum of u. A path having length is known as a geodesic. The largest distance between a vertex and any other vertex of is known as the eccentricity, denoted by . The diameter denoted by of is the largest eccentricity among all the vertices of the graph Furthermore, the radius symbolized by of has the lowest eccentricity among all the vertices of the graph
Suppose and are two connected graphs, then is the join of and whose vertex and edge sets are and , respectively. A complete graph is a graph that has an edge between any single vertex in the graph, and symbolizes it. A t-partite graph is one in which the vertices are or may be partitioned into t distinct independent sets, while a complete t-partite graph is one where any pair of vertices from distinct independent sets has an edge. Other unexplained terminologies and notations were taken from [37].
Table 1.
A list of potential topological indices is shown below.
Table 1.
A list of potential topological indices is shown below.
| The Index’s Name | Symbol | Formula |
|---|---|---|
| Wiener index [2] | ||
| Randić index [5] | ||
| Harary index [38,39] | ||
| Harmonic index [40] | ||
| General Randić index [41] | ||
| Schultz molecular topological index [42] | ||
| Reciprocal complementary Wiener index [43] | ||
| Atomic-bond connectivity (ABC) index [43] | ||
| Fourth version of ABC index [1] | ||
| Geometric-arithmetic (GA) index [44] | ||
| Fifth version of GA index [4] | ||
| Hosoya polynomial [8] | ||
| Reciprocal status Hosoya polynomial [45] | where |
Section 2 defines all of the notations used in formulae.
Definition 1.
The centre of a group is specified is given as:
The special linear group denoted by of degree 2 over a field is the set of matrices whose determinant is 1. We represent the cyclic group of order n by . Furthermore, the presentation of binary dihedral group of order , where , is shown as follows:
We now split as follows:
Since is cyclic, its induced subgraph is complete, and it is denoted by . A remarkable feature of is that the involution and the identity e are adjacent to every other vertex in its commuting graph. Moreover,
are respectively the binary tetrahedral group of order 24, the binary octahedral group of order 48, and the binary icosahedral group of order 120. All these are the finite non-abelian subgroups of .
We will explore several properties of the aforementioned groups, but the commuting graph of is our main focus.
Proposition 1
([46]). The structure of the commuting graphs of finite subgroups of are:
where represents the m copies of .
From the structure of the commuting graph of , clearly it has vertices, and the total number of edges of is . The relevant vertex partition of is shown in Table 2 depending on the sum distance number, reciprocal distance, degree and the distance numbers of any vertex. The usable edge partition for is presented in Table 3. It is dependent on the degrees and their sum of the end vertices of every edge.
Table 2.
Vertex partition of for any vertex .
Table 3.
is partitioned into edges based on their reciprocal statuses.
3. Edge and Vertex Partitions
To begin, we create certain important factors that aid in the analysis of specified topological indices. These parameters are stated as follows for any vertex u of :
- The distance number of u in is .
- The u’s reciprocal distance number in is .
- The total of u’s distances in is .
4. Topological Properties
Theorem 1.
The commuting graph of satisfies:
Proof.
We have obtained the Wiener index by using a vertex partition, as shown in Equation (1) and Table 2.
After certain simplifications, the necessary Wiener index can be achieved. □
Theorem 2.
The commuting graph of satisfies:
Proof.
Given that has a diameter of we can get the reciprocal complementary Wiener index by applying the vertex partition described in Equation (2) and Table 2.
By applying certain simplifications, the appropriate index can be simply determined. □
Theorem 3.
Assume that is the commuting graph of . Then
Proof.
Theorem 4.
Let be the commuting graph of . Then
Proof.
Some straightforward simplifications result in the desired Harary index. □
Theorem 5.
Suppose is the commuting graph of . We have:
Proof.
We may get the general Randić index for by using the edge partition from Table 3.
We get the desired result after minor simplification. □
Theorem 6.
Suppose that is the commuting graph of . We have:
Proof.
By employing the geometric-arithmetic (GA) index formula, its fifth form, as well as the edge partition specified in Table 3, we obtain
After some computations, the required values of and can be derived. □
Theorem 7.
Assume that is the commuting graph of . Then
Proof.
We have achieved this by including the edge partition, as specified in Table 3, into the and index formulas.
By making a simple simplification, one may get the necessary formulae for both indices. □
Theorem 8.
Suppose is the commuting graph of . We have
Proof.
Using the harmonic index formula and the edge partition specified in Table 3, we obtain
Certain computations resulting the necessary harmonic index. □
5. Hosoya Properties of Finite Subgroups of
The Hosoya polynomial and its reciprocal status of the commuting graphs are determined in this section.
The classification of the commuting graphs of finite subgroups of have been given in [46] (see Proposition 1) using GAP [47] calculations.
5.1. Hosoya Polynomial
To establish certain results, we first prove some important results.
Proposition 2.
Suppose is the commuting graph of Then
Proof.
As we know that . We need to examine and . Suppose is the collection of all pair of vertices of then
Suppose
and Therefore:
Since, for any , so
Thus, Using Proposition 1, and we have
Therefore,
Consequently,
Using Equation (5), we get
Hence,
□
The following results yield the Hosoya polynomials of the commuting graphs of finite subgroups of .
Theorem 9.
Assume that is the commuting graph of . Then
Proof.
By substituting the coefficients derived in Proposition 2 into the formula for the Hosoya polynomial, we get.
We obtain the essential result. □
Theorem 10.
Suppose is the commuting graph of a group . Then
Proof.
Following GAP [47], Proposition 1 and using the similar computations as given in Theorem 9, we can prove the required result. □
5.2. Reciprocal Status Hosoya Polynomial
This section establishes the reciprocal status of the commuting graphs of certain finite subgroups of As we know that is the reciprocal status of a vertex w. So we get the following proposition.
Proposition 3.
If z is a vertex of , then:
Proof.
By applying Proposition 1, the vertex set of is . Thus, when implies ; additionally, we use the reciprocal status notion, then:
When , implying also, we use the reciprocal status concept, which results in the following:
When , then further, we use the idea of reciprocal status, resulting in the following:
□
Theorem 11.
Let be the commuting graph of for Then:
Proof.
Using Proposition 3, there are five different kinds of edges in . As a result, Table 3 illustrates the edge partitioning and the reciprocal status of its associated end vertices, when ,
By inserting the edge partition of presented in Table 3, we get the reciprocal status Hosoya polynomial.
□
Lemma 1.
Let be the commuting graph of Then,
Proof.
Following GAP [47], Proposition 1 and using the similar computations as given in Theorem 11, we can prove the required result. □
6. Hosoya Index
The Hosoya index of the commuting graphs is examined in this section. On a graph with n vertices, the complete graph provides the maximum possible value of the Hosoya index [48]. The Hosoya index of , where is generally as follows:
this may be observed concerning the whole set of non-void matchings stated in Table 4, whereas refers the cardinality of i matchings, where
Table 4.
The total number of non-void matchings in .
Theorem 12.
For , the Hosoya index of is given as:
where
where 3 ≤ i ≤ n,
where 3 ≤ i ≤ n,
Proof.
By applying Proposition 1, the vertex set of is , where . Therefore, we have the subsequent kinds of edges in :
- Type-1:
- , for any
- Type-2:
- , for any
- Type-3:
- , for any
- Type-4:
- , for any
- Type-5:
- , for any where
Therefore, there are seven kinds of matchings among the edges of , which may be classified into the categories listed as:
- ()
- Matchings amongst the Type-1, -2 as well as Type-3 edges,
- ()
- Matchings amongst the Type-4 edges,
- ()
- Matchings amongst the Type-5 edges,
- ()
- Matchings amongst the Type-1 and -4 edges,
- ()
- Matchings amongst the Type-3 and -4 edges,
- ()
- Matchings amongst the Type-4 and -5 edges,
- ()
- Matchings amongst the Type-1, -2, -3 and Type-5 edges.
The preceding approach generates all of the above-mentioned forms of matchings:
- ()
- As previously stated, the subgraph induced by is complete, i.e., . Thus, all Type-1, -2, and Type-3 edges are identical to edges, and all such matchings among these edges are shown in Table 5, whereas means the total number of matchings having i order, where .
- ()
- For , suppose denote the number of order i matchings.
- For ():
- The number of Type-4 edges, that is, , which is equal to the number of order 1 matchings. Therefore
- For ():
- Let be a Type-4 edge with and for a fixed Additionally, the edge e, any Type-4 edge with one end in while the other end in creates a matching of order 2. As a consequence,Hence, in this case, no order greater than two matchings.
- ()
- Type-5 has n edges, none of which share a similar vertex. As a result, for each order i there is a match such that . Assume that denotes is the number of order i matchings. Then,
- ()
- Suppose refers the number of order i matchings, where . Then, in this context, . There are no Type-1 edges connecting a vertex to any Type-4 edge in . Hence, we may get a matching in this case by joining each matching of Type-1 edges to every matching of Type-4 edges. The edges of Type-1 are also the edges of , and there are matchings of order ℓ between them. Every can be determined in Table 5. Among the edges of Type-4, there are and matchings having orders of 1 and 2, respectively.As a result of the product rule, we obtain:When thenAdditionally, when then
- ()
- For , denotes the total matchings of order i. Then . We can only use matchings of order 1 among Type-4 edges in this situation. Otherwise, we will be unable to use any Type-3 edge, since both types of edges often share vertices. So in this situation, we can only get matchings having orders of 2. Suppose is the order 1 matching between the Type-4 edges with , for Then, any non-adjacent Type-3 edge to may result in the construction of an order 2 matching. Given the existence of such Type-3 edges, any of which may be employed in any of the order 1 matching among Type-4 edges, we get:
- ()
- For , represent the number of order i matchings. Then , to identify matching, both matchings of orders 1 and 2 among the edges of Type-4, and any matching of order ℓ among the edges of Type-5 will be evaluated, where . Thus by counting these matchings using the product rule, we obtain:and for
- ()
- Considering that, the Type-1, -2, and Type-3 edges are also the edges generated by , we can use them to detect matchings between the edges of Type-5 and . Suppose is the number of order i matchings. Then, . Due to the fact that no edge of Type-5 shares a vertex with an edge of , this equates to every pair of Type-5 edges matching. Thus, every matching of the edges of can also be used to find a match in this case. Since, there exist matchings of the cardinality amongst the edges, as listed in Table 5, also matchings of order amongst the Type-5 edges. Therefore, the highest order of a matching in this situation is . Consequently, we may determine , for as follows:As a result, by the sum rule, the Hosoya index of is as follows:where
□
Table 5.
The total non-void matchings in .
Table 5.
The total non-void matchings in .
| ⋯ | ||||||
|---|---|---|---|---|---|---|
| ⋮ | ⋮ | ⋮ | ⋮ | ⋮ | ⋱ | ⋮ |
| ⋯ |
7. Conclusions
This paper aimed to investigate the structural features of the commuting graphs of the finite non-abelian subgroups of . The special linear groups and their finite subgroups are well-known algebraic structures that have contributed significantly to the theory of molecular vibrations and electron structures. We studied an algebraic characteristic, specifically binary dihedral groups, and their related chemical structure (commuting graphs), in connection with the finite subgroups of . The precise formulae of the reciprocal complementary Wiener index, Randić index, Harary index, harmonic index, geometric-arithmetic index and the arithmetic-geometric index, Schultz molecular topological index, the Hosoya polynomial and its reciprocal form, the Hosoya index, and the atomic-bond connectivity indices were used to obtain several degree-based and distance-based characteristics of the respective graphs.
In this study, we attempted to explore numerous topological indices of the commuting graphs of certain finite groups. Although, the problem of computing the topological indices of the commuting graph or the commuting involution graph of any finite group remains open and unsolved. In chemistry, an algebraic structure is critical for forming chemical structures and investigating different chemical characteristics of chemical compounds included inside these structures. All indices are numerical values, and this study contributes a novel chemical structure to the theory of topological indices. This could help predict the bioactive molecules using the physicochemical parameters examined in QSPR.
Author Contributions
Conceptualization, F.A., B.A.R. and M.S.; software, F.A., K.A.M.A., A.U., R.D. and N.F.; writing—original draft preparation, F.A., B.A.R. and M.S.; writing—review and editing, K.A.M.A., B.A.R., R.D., N.F., A.U. and F.A.; formal analysis, F.A., B.A.R. and A.U.; validation, F.A., M.S. and A.U.; methodology, F.A., B.A.R. and N.F.; investigation, F.A., B.A.R. and M.S.; resources, F.A. and B.A.R.; project administration, F.A., B.A.R. and A.U.; funding acquisition, N.F. and K.A.M.A. All authors have read and agreed to the published version of the manuscript.
Funding
The authors would like to thank the Deanship of Scientific Research, Umm Al-Qura University for supporting this work by Grant Code: (22UQU4310392DSR17).
Institutional Review Board Statement
Not applicable.
Informed Consent Statement
Not applicable.
Data Availability Statement
The data used to support the findings of this study are available within the article.
Acknowledgments
The author N.F. would like to thank Prince Sultan University for paying the publication fees (APC) for this work through TAS LAB. The authors would like to thank the Deanship of Scientific Research at Umm Al-Qura University for supporting this work by Grant Code: (22UQU4310392DSR17).
Conflicts of Interest
The authors declare no conflict of interest.
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