Extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index
Mehar Ali Malik, Rashid Farooq

TL;DR
This paper investigates the extremal properties of conjugated unicyclic and bicyclic graphs concerning their total-eccentricity index, extending previous work on extremal trees and conjugated trees.
Contribution
It introduces new results characterizing extremal conjugated unicyclic and bicyclic graphs for the total-eccentricity index.
Findings
Identifies extremal conjugated unicyclic graphs with maximum and minimum total-eccentricity index.
Identifies extremal conjugated bicyclic graphs with maximum and minimum total-eccentricity index.
Extends known extremal graph results to conjugated unicyclic and bicyclic cases.
Abstract
Let be a molecular graph. The total-eccentricity index of graph is defined as the sum of eccentricities of all vertices of . %In [R. Farooq, M.A. Malik, J. Rada, Extremal graphs with respect to total-eccentricity index, 2017, submitted], the authors studied The extremal trees, unicyclic and bicyclic graphs, and extremal conjugated trees with respect to total-eccentricity index are known. In this paper, we extend these results and study the extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index.
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Taxonomy
TopicsGraph theory and applications · Graphene research and applications · Fullerene Chemistry and Applications
Extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index
Mehar Ali Malik
School of Natural Sciences,
National University of Sciences and Technology, Sector H-12, Islamabad, Pakistan
Rashid Farooq Corresponding author. School of Natural Sciences,
National University of Sciences and Technology, Sector H-12, Islamabad, Pakistan
Abstract
Let be a molecular graph. The total-eccentricity index of graph is defined as the sum of eccentricities of all vertices of . The extremal trees, unicyclic and bicyclic graphs, and extremal conjugated trees with respect to total-eccentricity index are known. In this paper, we extend these results and study the extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index.
††Email addresses: [email protected], [email protected] (M. A. Malik), [email protected] (R. Farooq).
Keywords: Topological indices, total-eccentricity index, conjugated graphs.
AMS Classification: 05C05, 05C35
1 Introduction
Let be an -vertex molecular graph with vertex set and edge set . The vertices and edges of respectively correspond to atoms and chemical bonds between atoms. A topological index is a numerical quantity associated with the chemical structure of a molecule. The aim of such association is to correlate these indices with various physico-chemical properties of a chemical compound. An edge between two vertices is denoted by . The order and size of are respectively the cardinalities and . The neighbourhood of a vertex in is the set of vertices adjacent to . A simple graph is a graph without loops and multiple edges. All graphs considered in this paper are simple. The degree of a vertex in is the cardinality . A graph is called a -regular graph if for all . A vertex of degree is called a pendant vertex. Let , and respectively denote an -vertex path, cycle and a complete graph. An -vertex complete bipartite graph and -vertex star is respectively denoted by and (or simply ), where . A -path with vertex set is denoted by . A graph is said to be connected if there exists a path between every pair of vertices in . A maximal connected subgraph of a graph is called a component. A vertex is called a cut-vertex if deletion of , along with the edges incident on it, increases the number of components of . A maximal connected subgraph of a graph without any cut-vertex is called a block. A tree is a connected graph containing no cycle. Thus, an -vertex tree is a connected graph with exactly edges. An -vertex unicyclic graph is a simple connected graph which contains edges. Similarly, an -vertex bicyclic graph is a simple connected graph which contains edges.
A matching in a graph is a subset of edges of such that no two edges in share a common vertex. A vertex in is said to be -saturated if an edge of is incident with . A matching is said to be perfect if every vertex in is -saturated. A conjugated graph is a graph that contains a perfect matching. In graphs representing organic compounds, perfect matchings correspond to Kekulé structures, playing an important role in analysis of the resonance energy and stability of hydrocarbons [6]. The distance between two vertices is defined as the length of a shortest path between and in . If there is no path between vertices and then is defined to be . The eccentricity of a vertex is defined as the largest distance from to any other vertex in . The diameter and radius of a graph are respectively defined as:
[TABLE]
A vertex is said to be central if . The graph induced by all central vertices of is called the center of , denoted as . A vertex is called an eccentric vertex of a vertex in if . The set of all eccentric vertices of in a graph is denoted by .
The first topological index was introduced by Wiener [18] in 1947, to calculate the boiling points of paraffins. In 1971, Hosoya [8] defined the notion of Wiener index for any graph as the half sum of distances between all pairs of vertices. The average-eccentricity of an -vertex graph was defined in 1988 by Skorobogatov and Dobrynin [16] as:
[TABLE]
In the recent literature, a minor modification of average-eccentricity index is used and referred as total-eccentricity index . It is defined as:
[TABLE]
The eccentric-connectivity index and the Randić index of a graph are defined respectively by and . Liang and Liu [11] proved a conjecture on the relation between the average-eccentricity and Randić index. Dankelmann and Mukwembi [3] obtained upper bounds on the average-eccentricity in terms of several graph parameters. Smith et al. [17] studied the extremal values of total-eccentricity index in trees. Ilic [9] studied some extremal graphs with respect to average-eccentricity. Farooq et al. [4] studied the extremal unicyclic and bicyclic graphs and extremal conjugated trees with respect to total-eccentricity index. For more details on topological indices of graphs and networks, the author is referred to [1, 2]. In this paper, we extend the results of [4] to conjugated unicyclic and bicyclic graphs.
For some special families of graphs of order , the total-eccentricity index is given as follows:
For a -regular graph , we have , 2. 2.
, 3. 3.
, , 4. 4.
The total-eccentricity index of a star , a cycle and a path is given by
[TABLE]
Let be the vertices of a path . Let be a unicyclic graph obtained from by joining and by an edge. Similarly, let be a bicyclic graph obtained from by joining with two vertices and . Note that when , the graphs and are conjugated and are denoted by and , respectively. In Figure 1, we give two -vertex bicyclic graphs and . For , let be an -vertex conjugated tree obtained by identifying one vertex each from copies of and deleting a single pendent vertex. Let be the unique central vertex of . Let be a conjugated unicyclic graph obtained from by adding an edge between and any vertex not adjacent to . In a similar fashion, let be a conjugated bicyclic graph obtained from by adding two edges between and any two vertices not adjacent to (see Figure 2).
Now we give some previously known results on the center of a graph from [7] and some results on extremal graphs with respect to total-eccentricity index from [4]. In next theorem, we give a result dealing with the location of center in a connected graph.
Theorem 1.1** (Harary and Norman [7]).**
The center of a connected graph is contained in a block of .
The only possible blocks in a unicyclic graph are , or a cycle . Thus the following corollary gives the center of an -vertex conjugated unicyclic graph .
Corollary 1.2**.**
If is an -vertex conjugated unicyclic graph with a unique cycle , then or , or
The following results give the extremal unicyclic and bicyclic graphs with respect to total-eccentricity index.
Theorem 1.3** (Farooq et al. [4]).**
Among all -vertex unicyclic graphs, , the graph shown in Figure 1 has maximal total-eccentricity index.
Theorem 1.4** (Farooq et al.[4]).**
Among all -vertex bicyclic graphs, , the graph shown in Figure 1 has the maximal total-eccentricity index.
In Section 2, we find extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index.
2 Conjugated unicyclic and bicyclic graphs
In this section, we find extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index. In (2.1), we give the total-eccentricity index of the conjugated graphs , , and which can easily be computed.
[TABLE]
Using Theorem 1.1 and Corollary 1.2, we prove the following result.
Remark 2.1**.**
When , the graph shown in Figure 3(a) has the smallest total-eccentricity index among all -vertex conjugated unicyclic graphs. When , the graphs shown in Figure 3(b) and Figure 3(c) have smallest total-eccentricity index among -vertex conjugated unicyclic graphs. When , the graph shown in Figure 3(d) has smallest total-eccentricity index among -vertex conjugated unicyclic graphs.
Theorem 2.1**.**
Let and . Then among all -vertex conjugated unicyclic graphs, the graph shown in Figure 2 has the minimal total-eccentricity index.
Proof.
Let be the -vertex conjugated unicyclic graph shown in Figure 2. Let be an arbitrary -vertex conjugated unicyclic graph with a unique cycle . We show that . Let denote the number of vertices with eccentricity in . If or then
[TABLE]
In the rest of the proof, we assume that and . Let . If is a vertex of such that is not on , then . Also, it is easily seen that there are at most five vertices on with eccentricity . Thus
[TABLE]
We complete the proof by considering the following cases.
Case 1. When and . By Corollary 1.2, or or . This shows that has at most five vertices with eccentricity . Thus the inequality (2.2) holds in this case.
Case 2. When and . Then and there will be exactly one vertex in . That is, . Let be the vertex with . Then . Considering several possibilities for longest possible paths (of length ) starting from and that is conjugated, one can see that is isomorphic to one of the graphs shown in Figure 4. Moreover, observe that .
Since and , we can write
[TABLE]
Case 3. When and . Then (see Figure 5). Let be the unique central vertex of . Then either is a vertex of or is adjacent to a vertex of . When , then is isomorphic to one of the graphs shown in Figure 5(a), 5(b) or 5(c). In this case, all vertices with eccentricity are pendent. This gives . Therefore
[TABLE]
Similarly, if the central vertex is not on , then is isomorphic to one of the graphs shown in Figure 5(d) or 5(e). Note that . Thus
Combining all the cases, we see that is the minimal graph with respect to total-eccentricity index. This completes the proof.
∎
The following theorem gives the maximal conjugated unicyclic graphs with respect to total-eccentricity index.
Theorem 2.2**.**
Let . Then the -vertex conjugated unicyclic graph corresponding to the maximal total-eccentricity index is the graph shown in Figure 2.
Proof.
Note that the class of all -vertex conjugated unicyclic graphs forms a subclass of the class of all -vertex unicyclic graphs. From Theorem 1.3 we see that among all -vertex unicyclic graphs, the graph (see Figure 1) has the largest total-eccentricity index. Since admits a a perfect matching when , the result follows. ∎
Corollary 2.3**.**
For an -vertex conjugated unicyclic graph , we have .
Proof.
Using Theorem 2.1, Theorem 2.2 and equation (2.1), we obtain the required result. ∎
The next theorem gives the minimal conjugated bicyclic graphs with respect to total-eccentricity index.
Remark 2.2**.**
Let . Then among all -vertex conjugated bicyclic graphs, one can easily see that the graph shown in Figure 6(a) has the minimal total-eccentricity index. Similarly, when and , then the graphs respectively shown in Figure 6(b) and Figure 6(c) have the minimal total-eccentricity index among all -vertex and -vertex conjugated bicyclic graphs.
Theorem 2.4**.**
Let and . Then among the -vertex conjugated bicyclic graphs, the graph shown in Figure 2 has the minimal total-eccentricity index.
Proof.
Let be the -vertex conjugated bicyclic graph shown in Figure 2. Let be an arbitrary -vertex conjugated bicyclic graph and . Let denote the center of and denote the number of vertices with eccentricity . The proof is divided into two cases depending upon the number of cycles in .
Case 1. When contains two edge-disjoint cycles and of lengths and , respectively. Without loss of generality, assume that . If or , then
[TABLE]
Thus, we assume that and . If , then for any vertex , . Moreover, as , the number of vertices with eccentricity are at most . Thus
[TABLE]
We consider the following three subcases.
(a) Let and . By Theorem 1.1, we have . Thus satisfies equation (2.3).
(b) Let and . Take . We observe that the center is contained in and . Assume to be the unique central vertex of . Then for several possible choices for possible pendent vertices in the conjugated graph , one can observe that is one of the graphs shown in Figure 7. Moreover . Then .
(c) Let and . If then , otherwise which is not true. Similarly, if , then or . Since , we have . Let be the unique central vertex. Then is isomorphic to one of the graphs shown in Figure 8. When is not a vertex of or , then and . If is a vertex of or , then . Thus .
Case 2. When cycles of share some edges. Then there are cycles , and in of lengths , and , respectively. Without loss of generality, assume that . Then and . Let be the subgraph of induced by the vertices of , and . Clearly, contains the cycle . Assume that . Then is minimal with respect to total-eccentricity index if can be obtained from the cycle by adding the edge or .
When , then for all . This gives us . Assume that and . We consider the following two subcases:
(a) When . Then . There exists a vertex with degree in such that and has at most neighbours not in . Clearly, all of these vertices will have eccentricity . Then such vertices can have unique pendent vertices with eccentricity . Moreover, there will be at least one vertex with eccentricity in , otherwise . Thus . Moreover, at most vertices in can have eccentricity . This gives . When , such a graph is shown in Figure 9(a). The vertex such that is also shown in the figure. Using the facts that and . We get
[TABLE]
(b) When . We first assume that . Then by Theorem 1.1, we have . Thus . On the other hand, when . Then . When , then the minimal graph is isomorphic to the graph shown in Figure 9(b). Clearly, . Thus . When , then is isomorphic to one of the graphs shown in Figures 9(c)9(h). It can be seen that . Thus we can write .
Combining the results of Case 1 and Case 2, we see that among all conjugated bicyclic graphs, has the minimal total-eccentricity index. The proof is complete. ∎
Theorem 2.5**.**
Let . Then among the -vertex conjugated bicyclic graphs, the graph shown in Figure 2 has the maximal total-eccentricity index.
Proof.
For , the proof can be derived from the proof of Theorem 1.4. ∎
Corollary 2.6**.**
For any conjugated bicyclic graph , we have .
Proof.
The result follows by using Theorem 2.4, Theorem 2.5 and equation (2.3). ∎
3 Conclusion
In this paper, we extended the results of Farooq et al. [4] and studied the extremal conjugated unicyclic and bicyclic graphs with respect to total-eccentricity index.
Acknowledgements
The authors are thankful to the Higher Education Commission of Pakistan for supporting this research under the grant 20-3067/NRPU/RD/HEC/12/831.
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