Wiener Index of Graphs and Their Line Graphs
- 588 Downloads
Abstract
The Wiener index W(G) of a graph G is a distance-based topological index defined as the sum of distances between all pairs of vertices in G. It is shown that for λ=2 there is an infinite family of planar bipartite chemical graphs G of girth 4 with the cyclomatic number λ, but their line graphs are not chemical graphs, and for λ⩾2 there are two infinite families of planar nonbipartite graphs G of girth 3 with the cyclomatic number λ; the three classes of graphs have the property W(G)=W(L(G)), where L(G) is the line graph of G.
Keywords
Wiener index Line graph Cyclomatic numberMathematics Subject Classification (2000)
05C121 Introduction
All graphs considered in this paper are finite, undirected, connected, without loops and multiple edges. The vertex and edge sets of G are denoted by V(G) and E(G), respectively. Let n(G) denote the number of vertices in a graph G. The cyclomatic number λ of a graph G is defined as λ(G)=|E(G)|−|V(G)|+1. The line graph L(G) of a graph G has the vertex set V(L(G))=E(G), and two distinct vertices of the graph L(G) are adjacent if the corresponding edges of G have a common endvertex. A chemical graph G is a graph in which no vertex has degree greater than four. If u and v are vertices of G, then the number of edges in the shortest path connecting them is said to be their distance and is denoted by d(u,v). The sum of distances from a vertex v to all vertices in a graph G is called the distance of this vertex, d G (v)=∑ u∈V(G) d(u,v).
The Wiener index is a well-known distance-based topological index introduced as structural descriptor for acyclic organic molecules [17]. It is defined as the sum of distances between all unordered pairs of vertices of a simple graph G, i.e., \(W(G)=\sum_{\{u,v\}\subseteq V(G)}d(u,v)=\frac{1}{2}\sum_{v\in V(G)}d_{G}(v)\). For a graph G, let ΔW(G)=W(L(G))−W(G).
Mathematical properties and chemical applications of the Wiener index have been intensively studied in the last 35 years. Nowadays, the Wiener index is one of the best understood and most frequently used molecular shape descriptors. It has found many applications in the modelling of physico-chemical, pharmacological and biological properties of organic molecules. For detailed information on the Wiener index and its applications, we refer to [5, 6, 8, 16]. There are two groups of closely related problems which have attracted the attention of researchers for a long time: (a) how the Wiener index depends on the structure of a graph, (b) how the Wiener index changes under graph operations.
One of the interesting approaches in mathematical chemistry studies is to characterize molecular graphs by means of parameters calculated for their derived structures. The line graph can reflect branchings of the initial graph, it is a good example of derived structures of molecular graphs. Invariants of line graphs have been applied for the evaluation of structural complexity of molecular graphs, for ordering of structures and for the design of novel topological indices [1, 12, 14].
2 Main Results
We introduce the following useful lemma for computing the Wiener index of a graph.
Lemma 2.1
G r,t
The line graph L(G r,t ) of G r,t
Lemma 2.2
For positive integers r and t, let G r,t be the graph of girth 4 shown in Fig. 1, then \(\Delta W(G_{r,t} ) =-3r-\frac {5}{2}t+\frac{1}{2}t^{2}+8 \).
Proof
The subgraphs T and G 1 of G r,t
The subgraphs G 2 and G 3 of line graph L(G r,t )
Theorem 2.3
There is an infinite family of planar bipartite chemical graphs G r,t of girth 4 with cyclomatic number λ(G r,t )=2 such that ΔW(G r,t )=0. Specifically, ΔW(G r,t )=0 if and only if t=3k−2, r=(3k 2−9k+10)/2, where k is any positive integer.
Proof
From Lemma 2.2, we know that ΔW(G r,t )=0 if and only if \(-3r+\frac{1}{2}t^{2}-\frac{5}{2}t+8=0\). Hence, all of the positive solutions of this equation are given by t=3k−2, r=(3k 2−9k+10)/2=3k(k−3)/2+5, where k is any positive integer. Since one of two integers k and k−3 must be even, hence r is a positive integer. The proof of Theorem 2.3 is completed. □
H r,s,t , the subgraphs H 1 and H 2 of H r,s,t , the line graph L(H r,s,t ) of H r,s,t
Lemma 2.4
For nonnegative integers r (⩾1), s and t, let H r,s,t be the graph of girth 3 shown in Fig. 5. Then \(\Delta W (H_{r,s,t}) = \frac{7}{2}r^{2}-\frac{1}{2}s^{2}-\frac{1}{2}t^{2}-st-\frac{3}{2}s-\frac {3}{2}t-\frac{7}{2}r+rt-1\).
Proof
Theorem 2.5
For every integer λ⩾2, there is an infinite family of planar nonbipartite graphs H r,s,t of girth 3 with the cyclomatic number λ=r such that ΔW(H r,s,t )=0. Specifically, ΔW(H r,s,t )=0 if and only if (i) s=2r−2k−4−k(k−1)/(2r)⩾0, t=r+3k+2+k(k−1)/(2r)⩾0, or (ii) s=2r+2k−6−k(k−1)/(2r)⩾0, t=r−3k+5+k(k−1)/(2r)⩾0, where r (⩾2) and k (⩾0) are integers, and k(k−1)/(2r) must be a nonnegative integer.
Proof
Hence, ΔW(H r,s,t )=0 if and only if (i) s=2r−2k−4−k(k−1)/(2r)⩾0, t=r+3k+2+k(k−1)/(2r)⩾0, or (ii) s=2r+2k−6−k(k−1)/(2r)⩾0, t=r−3k+5+k(k−1)/(2r)⩾0, where r (⩾1) and k (⩾0) are integers, and k(k−1)/(2r) must be a nonnegative integer. Therefore, for every integer λ=r⩾2, there is an infinite family of planar nonbipartite graphs H r,s,t of girth 3 with the cyclomatic number λ such that W(H r,s,t )=W(L(H r,s,t )). The proof of Theorem 2.5 is completed. □
Based on Theorem 2.5 we obtain the following.
Corollary 2.6
- (1)
k=0, r=l, s=2l−4, t=l+2, where l⩾2.
- (2)
k=1, r=l, s=2l−6, t=l+5, where l⩾3.
- (3)
k=l, r=l(l−1)/2, s=l 2−3l−5, t=(l+2)(l+3)/2, where l⩾5.
- (4)
k=2lm, r=l(2lm−1), s=4l 2 m−4lm−2l−m−4, t=2l 2 m+6lm−l+m+2, where l=2, m⩾2 or l⩾3, m⩾1.
- (5)
k=2lm+1, r=l(2lm+1), s=4l 2 m−4lm+2l−m−6, t=2l 2 m+6lm+l+m+5, where l=2, m⩾1 or l⩾3, m⩾0.
- (6)
k=2(2lm+l+m+1), r=(2l+1)(2lm+l+m+1), s=2(2l−1)(2lm+l+m+1)−2m−5, t=(2l+7)(2lm+l+m+1)+2m+3, where l=1, m⩾1 or l⩾2, m⩾0.
- (7)
k=(2l+1)(2m+1), r=(2l+1)(2lm+l+m), s=2(2l+1)(2lm+l−m−1)−2m−5, t=(2l+1)(2lm+l+7m+3)+2m+3, where l=1, m⩾2 or l⩾2, m⩾2.
- (8)
k=2m(2l+1), r=(2l+1)(4lm+2m−1), s=2(2l+1)(4lm−1)−m−4, t=(2l+1)(4lm+8m−1)+m+2, where l⩾1, m⩾1.
- (9)
k=(4l−1)(4m−1), r=(4l−1)(4lm−l−m), s=2(4l−1)(4lm−l−5m+1)−8m−2, t=(4l−1)(4lm−l+11m−3)+8m, where l⩾2, m⩾1.
- (10)
k=(8l−5)(8m−5), r=(8l−5)(8lm−5l−5m+3), s=2(8l−5)(8lm−5l−13m+8)−32m+16, t=(8l−5)(8lm−5l+19m−12)+32m−18, where l⩾2, m⩾1.
- (11)
k=4(4lm−l+m), r=(4l+1)(4lm−l+m), s=2(4l−3)(4lm−l+m)−8m−2, t=(4l+13)(4lm−l+m)+8m, where l=1, m⩾2 or l⩾2, m⩾1.
- (12)
k=l, r=l(l−1)/2, s=l 2+l−7, t=(l−3)(l−4)/2, where l⩾3.
- (13)
k=2lm, r=l(2lm−1), s=4l 2 m+4lm−2l−m−6, t=2l 2 m−6lm−l+m+5, where l=2, m=1 or l⩾3, m⩾1.
- (14)
k=2lm+1, r=l(2lm+1), s=4l 2 m+4lm+2l−m−4, t=2l 2 m−6lm+l+m+2, where l=1, m=1; l=2, m=0; l=2, m=1 or l⩾3, m⩾0.
- (15)
k=2(2lm+l+m+1), r=(2l+1)(2lm+l+m+1), s=2(2l+3)(2lm+l+m+1)−2m−7, t=(2l−5)(2lm+l+m+1)+2m+6, where l=1, m=0; l=2, m=0; l=2, m=1 or l⩾3, m⩾0.
- (16)
k=(2l+1)(2m+1), r=(2l+1)(2lm+l+m), s=2(2l+1)(2lm+l+3m+1)−2m−7, t=(2l+1)(2lm+l−5m−3)+2m+6, where l=1, m=0; l=2, m=0 or l⩾3, m⩾0.
- (17)
k=2m(2l+1), r=(2l+1)(4lm+2m−1), s=2(2l+1)(4lm+4m−1)−m−6, t=(2l+1)(4lm−4m−1)+m+5, where l⩾1, m⩾1.
- (18)
k=(4l−1)(4m−1), r=(4l−1)(4lm−l−m), s=2(4l−1)(4lm−l+3m−1)−8m−4, t=(4l−1)(4lm−l−13m+3)+8m+3, where l⩾4, m⩾1.
- (19)
k=(8l−5)(8m−5), r=(8l−5)(8lm−5l−5m+3), s=2(8l−5)(8lm−5l+3m−2)−32m+14, t=(8l−5)(8lm−5l−29m+18)+32m−15, where l⩾4, m⩾1.
- (20)
k=4(4lm−l+m), r=(4l+1)(4lm−l+m), s=2(4l+5)(4lm−l+m)−8m−4, t=(4l−11)(4lm−l+m)+8m+3, where l⩾3, m⩾1.
R r,s,t , the subgraphs R 1 and R 2 of R r,s,t , the line graph L(R r,s,t ) of R r,s,t
Lemma 2.7
For nonnegative integers r (⩾1), s and t, let R r,s,t be the graph of girth 3 shown in Fig. 6. Then \(\Delta W (R_{r,s,t})=2r^{2}-\frac{1}{2}s^{2}-\frac{1}{2}t^{2}-st+rs+2rt-\frac {5}{2}s-\frac{5}{2}t-3\).
Proof
Theorem 2.8
For every integer λ⩾2, there is an infinite family of planar nonbipartite graphs R r,s,t of girth 3 with the cyclomatic number λ=r such that ΔW(R r,s,t )=0. Specifically, ΔW(R r,s,t )=0 if and only if (i) s=2r−2k−4−k(k−1)/(2r)⩾0, t=2r+3k+1+k(k−1)/(2r)⩾0, or (ii) s=2r+2k−6−k(k−1)/(2r)⩾0, t=2r−3k+4+k(k−1)/(2r)⩾0, where r (⩾2) and k (⩾0) are integers, and k(k−1)/(2r) must be a nonnegative integer.
Proof
Based on Theorem 2.8 we obtain the following.
Corollary 2.9
- (1)
k=0, r=l, s=2l−4, t=2l+1, where l⩾2.
- (2)
k=1, r=l, s=2l−6, t=2l+4, where l⩾3.
- (3)
k=l, r=l(l−1)/2, s=l 2−3l−5, t=l 2+2l+2, where l⩾5.
- (4)
k=2lm, r=l(2lm−1), s=4l 2 m−4lm−2l−m−4, t=4l 2 m+6lm−2l+m+1, where l=2, m⩾2 or l⩾3, m⩾1.
- (5)
k=2lm+1, r=l(2lm+1), s=4l 2 m−4lm+2l−m−6, t=4l 2 m+6lm+2l+m+4, where l=2, m⩾1 or l⩾3, m⩾0.
- (6)
k=2(2lm+l+m+1), r=(2l+1)(2lm+l+m+1), s=2(2l−1)(2lm+l+m+1)−2m−5, t=4(l+2)(2lm+l+m+1)+2m+2, where l=1, m⩾1 or l⩾2, m⩾0.
- (7)
k=(2l+1)(2m+1), r=(2l+1)(2lm+l+m), s=2(2l+1)(2lm+l−m−1)−2m−5, t=(2l+1)(4lm+2l+8m+3)+2m+2, where l=1, m⩾2 or l⩾2, m⩾0.
- (8)
k=2m(2l+1), r=(2l+1)(4lm+2m−1), s=2(2l+1)(4lm−1)−m−4, t=2(2l+1)(4lm+5m−1)+m+1, where l⩾1, m⩾1.
- (9)
k=(4l−1)(4m−1), r=(4l−1)(4lm−l−m), s=2(4l−1)(4lm−l−5m+1)−8m−2, t=(4l−1)(8lm−2l+10m−3)+8m−1, where l⩾3, m⩾1.
- (10)
k=(8l−5)(8m−5), r=(8l−5)(8lm−5l−5m+3), s=2(8l−5)(8lm−5l−13m+8)−32m+16, t=(8l−5)(8lm−10l+14m−9)+32m−19, where l⩾2, m⩾1.
- (11)
k=4(4lm−l+m), r=(4l+1)(4lm−l+m), s=2(4l−3)(4lm−l+m)−8m−2, t=2(4l+7)(4lm−l+m)+8m−1, where l=1, m⩾2 or l⩾2, m⩾1.
- (12)
k=l, r=l(l−1)/2, s=l 2+l−7, t=l 2−4l+5, where l⩾3.
- (13)
k=2lm, r=l(2lm−1), s=4l 2 m+4lm−2l−m−6, t=4l 2 m−6lm−2l+m+4, where l=1, m=2 or l⩾2, m⩾1.
- (14)
k=2lm+1, r=l(2lm+1), s=4l 2 m+4lm+2l−m−4, t=4l 2 m−6lm+2l+m+1, where l=1, m=1; l=1, m=2; l=1, m=3 or l⩾2, m⩾0.
- (15)
k=2(2lm+l+m+1), r=(2l+1)(2lm+l+m+1), s=2(2l+3)(2lm+l+m+1)−2m−7, t=4(l−1)(2lm+l+m+1)+2m+5, where l⩾1, m⩾0.
- (16)
k=(2l+1)(2m+1), r=(2l+1)(2lm+l+m), s=2(2l+1)(2lm+l+3m+1)−2m−7, t=(2l+1)(4lm+2l−4m−3)+2m+5, where l⩾1, m⩾0.
- (17)
k=2m(2l+1), r=(2l+1)(4lm+2m−1), s=2(2l+1)(4lm+4m−1)−m−6, t=2(2l+1)(4lm−m−1)+m+4, where l⩾1, m⩾1.
- (18)
k=(4l−1)(4m−1), r=(4l−1)(4lm−l−m), s=2(4l−1)(4lm−l+3m−1)−8m−4, t=(4l−1)(8lm−2l−14m+3)+8m+2, where l⩾2, m⩾1.
- (19)
k=(8l−5)(8m−5), r=(8l−5)(8lm−5l−5m+3), s=2(8l−5)(8lm−5l+3m−2)−32m+14, t=(8l−5)(16lm−10l−34m+21)+32m−16, where l⩾2, m⩾1.
- (20)
k=4(4lm−l+m), r=(4l+1)(4lm−l+m), s=2(4l+5)(4lm−l+m)−8m−4, t=2(4l−5)(4lm−l+m)+8m+2, where l=1, m=1; l=1, m=2 or l⩾2, m⩾1.
Notes
Acknowledgements
The authors would like to express their sincere gratitude to the anonymous referees for their comments and remarks, which improved the presentation of this paper.
Supplementary material
References
- [1]Bertz, S.H., Wright, W.F.: The graph theory approach to synthetic analysis: definition and application of molecular complexity and synthetic complexity. Graph Theory Notes N. Y. 35, 32–48 (1998) MathSciNetGoogle Scholar
- [2]Buckly, F.: Mean distance of line graphs. Congr. Numer. 32, 153–162 (1981) MathSciNetGoogle Scholar
- [3]Cohen, N., Dimitrov, D., Krakovski, R., S̆krekovski, R., Vukasinovič, V.: On Wiener index of graphs and their line graphs. MATCH Commun. Math. Comput. Chem. 64(3), 683–698 (2010) MathSciNetMATHGoogle Scholar
- [4]Deng, H.Y.: The Wiener index of a class of chemical graphs and their line graphs. J. Nat. Sci. Hunan Norm. Univ. 32(3), 23–26 (2009) MathSciNetMATHGoogle Scholar
- [5]Devillers, J., Balaban, A.T. (eds.): Topological Indices and Related Descriptors in QSAR and QSPR. Gordon and Breach, Reading (1999) Google Scholar
- [6]Dobrynin, A.A., Entringer, R., Gutman, I.: Wiener index of trees: theory and applications. Acta Appl. Math. 66, 211–249 (2001) MathSciNetCrossRefMATHGoogle Scholar
- [7]Dobrynin, A.A., Gutman, I., Jovašević, V.: Bicyclic graphs and its line graphs with the same Wiener index. Diskretn. Anal. Issled. Oper. Ser. 2 4(2), 3–9 (1997) (in Russian) MathSciNetMATHGoogle Scholar
- [8]Dobrynin, A.A., Gutman, I., Klavžar, S., Žigert, P.: Wiener index of hexagonal systems. Acta Appl. Math. 72, 247–294 (2002) MathSciNetCrossRefMATHGoogle Scholar
- [9]Dobrynin, A.A., Mel’nikov, L.S.: Wiener index for graphs and their line graphs with arbitrary large cyclomatic numbers. Appl. Math. Lett. 18, 307–312 (2005) MathSciNetCrossRefMATHGoogle Scholar
- [10]Dobrynin, A.A., Mel’nikov, L.S.: Wiener index, line graphs and the cyclomatic number. MATCH Commun. Math. Comput. Chem. 53, 209–214 (2005) MathSciNetMATHGoogle Scholar
- [11]Dobrynin, A.A., Mel’nikov, L.S.: Some results on the Wiener index of iterated line graphs. Electron. Notes Discrete Math. 22, 469–475 (2005) CrossRefGoogle Scholar
- [12]Estrada, E., Guevara, N., Gutman, I.: Extension of edge connectivity index. Relationships to the line graph indices and QSPR applications. J. Chem. Inf. Comput. Sci. 38, 428–431 (1998) CrossRefGoogle Scholar
- [13]Gutman, I.: Distance of line graphs. Graph Theory Notes N. Y. 31, 49–52 (1996) MathSciNetGoogle Scholar
- [14]Gutman, I., Estrada, E.: Topological indices based on the line graph of the molecular graph. J. Chem. Inf. Comput. Sci. 36, 541–543 (1996) CrossRefGoogle Scholar
- [15]Gutman, I., Pavlovič, L.: More on distance of line graphs. Graph Theory Notes N. Y. 33, 14–18 (1997) MathSciNetGoogle Scholar
- [16]Nikolič, S., Trinajstič, N., Mihalič, Z.: The Wiener index: developments and applications. Croat. Chem. Acta 68, 105–129 (1995) Google Scholar
- [17]Wiener, H.: Structural determination of paraffin boiling points. J. Am. Chem. Soc. 69, 17–20 (1947) CrossRefGoogle Scholar





