Leonardo Electronic Journal of Practices and Technologies Issue 27, July-December 2015

ISSN 1583-1078 p. 155-161

Fourth Zagreb index of Circumcoronene series of Benzenoid

Mohammad Reza FARAHANI1* and Rajesh M. R. KANNA2

1
Department of Applied Mathematics, Iran University of Science and Technology (IUST)
Narmak, Tehran, 16844, Iran
2
Department of Mathematics, Maharani's Science College for Women, Mysore- 570005.
India
E-mails: *mr_farahani@mathdep.iust.ac.ir, mrfarahani88@gmail.com,
Mr.rajeshkanna@gmail.com
*
Corresponding author, phone: +98-919-2478265

Abstract
A topological index of a graph is a numeric quantity related to a structure of a
molecule which is invariant under graph automorphism. Recently, Ghorbani
and Hosseinzadeh introduced Fourth Zagreb index of graphs. In this paper we
determine a closed formula of this new topological index of the famous
Benzenoid family named Circumcoronene series of Benzenoid Hk.
Keywords
Molecular graph; Benzenoid graph; Circumcoronene series of benzenoid;
Topological index; Eccentricity index; Fourth Zagreb index

Introduction

A molecular graph is a simple graph such that its vertices correspond to the atoms and
the edges to the bonds. All graphs in this paper are finite and simple. For terms and concepts
not defined here we refer the reader to any of several standard monographs such as e.g. [1-5].
Mathematical chemistry is a branch of theoretical chemistry for discussion and
prediction of the molecular structure using mathematical methods without necessarily
referring to quantum mechanics. Chemical graph theory is a branch of mathematical
chemistry which applies graph theory to mathematical modelling of chemical phenomena [1-
5]. This theory had an important effect on the development of the chemical sciences.
A graph invariant is any function on a graph that does not depend on a labelling of its

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 Fourth Zagreb index of Circumcoronene series of Benzenoid
Mohammad R. FARAHANI, Rajesh M.R. KANNA

vertices. Such quantities are also called topological indices. One of the best known and widely
used is the Zagreb topological index introduced in 1972 by Gutman and Trinajstić and is
defined as the sum of the squares of the degrees of all vertices of G [2, 5]. Let G be a
connected graph with vertex and edge sets V(G) and E(G), respectively.
For every vertex u∈V(G), the edge connecting u and v is denoted by uv and dG(u) (or
du) denotes the degree of u in G (the number of first neighbors of vertex u in G).
The Zagreb indices were originally defined as follows:
M1(G)=∑v ∈ V(G) (dv)2
M2(G)=∑e=uv ∈ E(G) (du×dv)
here M1(G) and M2(G) denote the first and the second Zagreb index, respectively. The
first Zagreb index can be also expressed as a sum over edges of G,
M1(G)=∑e=uv ∈ E(G) (du+dv)

The readers interested in more information and some mathematical properties of

Zagreb indices for general graphs can be referred to [5-11].
In 2012, Ghorbani and Hosseinzadeh introduced a new version of Zagreb index [12]
as follows:
M**1(G)=∑v ∈ V(G) ε(v)2
In which for a vertex v of V(G) its eccentricity ε(v) is the largest distance between v and any
other vertex u of G.
ε(v)=Max{d(u,v)|∀u∈V(G)}
The maximum eccentricity over all vertices of G is called the diameter of G and
denoted by D(G). Also the minimum eccentricity among vertices of G is called the radius and
denoted by r(G). In other words,
D(G)=Maxv∈V(G){d(u,v)|∀u∈V(G)}
R(G)=Minv∈V(G){Max{d(u,v)|∀u∈V(G)}}
The eccentric connectivity index ζ(G) of a graph G is defined as:
ζ(G)=∑v ∈ V(G) dv×ε(v)
For further study and more details see references [13-17].
The aim of this paper is to investigate a closed formula of new topological Zagreb
index for Circumcoronene series of Benzenoid Hk (k≥1). In this paper, we call this new
Zagreb index by Fourth Zagreb index and denote by M4(G).

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ISSN 1583-1078 p. 155-161

Material and method

In this section it is presented how to compute this new topological index for
Circumcoronene series of Benzenoid Hk (k≥1). The Circumcoronene series is part of
Benzenoid molecular graph family (consist several copy of benzene C6). The general
representation and some first members of this Benzenoid graph family are shown in Figures 1
and 2 (see [14-20]).

Figure 1. Some first members of Circumcoronene series of Benzenoid Hk (k≥1) [14-17]

In this article we use Cut method and Ring-cut method. Further studies on Cut Method
and its modified version Ring-cut method can be seen in [19, 20]. Ring-cut method divides all
vertices of G into some partitions with similar mathematical and topological properties. For
example, readers can see ring-cuts of Circumcoronene series of Benzenoid in Figure 2.

Figure 2. The Ring-cuts for the general representation of Circumcoronene series of

Benzenoid Hk (k≥1) [14-17]

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 Fourth Zagreb index of Circumcoronene series of Benzenoid
Mohammad R. FARAHANI, Rajesh M.R. KANNA

Thus, from the general representation of Circumcoronene series of Benzenoid Hk and

its ring-cuts in Figure 2, one can see that [14-20]:

The vertex/atom set of Hk is V(Hk)={ γ z , j , βz ,l |i∈Zk & j∈Zi & z∈Z6}.

i i
I.

II. The edge/bond set of Hk is

E(Hk)={ βzi , j γ zi , j , βzi , j γ zi , j +1 , βzi , j γ zi −, j1 and γ zi ,i γ zi +1,1 | i∈Zk & j∈Zi & z∈Z6}.

The number of vertices is nk=|V(Hk)|=6 ∑i =1i + 6∑i =0 i =6k2 .

k k −1
III.

The number of edges is ek=|E(Hk)|=6 ∑ i =1 i + 6∑ i =1 i + 6∑ i =1 i +6k=9k2-3k.

k −1 k −1 k −1
IV.

V. ∀i=1..,k; j∈Zi-1 & z∈Z6: ε ( β zi , j ) = d ( β zi , j , β zi + 3, j ) + d ( β zi + 3, j , γ zk+ 3, j ) =2(k+i+1).

14
4244
3 144244
3
4i −3 2( k − i ) +1

VI. ∀i=1..,k; j∈Zi & z∈Z6: ε (γ zi , j ) = d (γ zi , j , γ zi + 3, j ) + d (γ zi + 3, j , γ zk+ 3, j ) =2(k+i)-1.

14243 144244
3
4i −1 2( k −i )

VII. The radius number of Hk is equal to r(Hk)=2k+1.

VIII. The diameter number of Hk is equal to D(Hk)=4k-1.
IX. ζ(Hk)=60k3-24k2-18k+18.
where all vertices β zi , j , γ zi , j are from Ith ring cut Ri of Hk., such that i=1,…, k and j∈Zi & z∈Z6

(Zn is the cycle finite group of order n).

Results

Now, we can exhibit the closed formula of Fourth Zagreb index M4(Hk) in following
theorem and its proof.
Theorem 1: Let G be the Circumcoronene series of Benzenoid Hk (k≥1). Then Fourth
Zagreb index of Hk is equal to:
M**1(Hk)=M4(Hk)=68k4+4k3-65k2+71k-24 (1)
Proof: Consider Circumcoronene series of Benzenoid G=Hk (k≥1) as shown in Figure
2. Thus, we refer to definition of Fourth Zagreb index M4(Hk) and compute this index for
G=Hk in general case (k∈Z) as follows:
M**1(Hk)=∑v ∈ V(Hk) ε(v)2 ⇒ (2)

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∑ ∑
2 2
M4(Hk)= ⎡⎣ε (γ zi , j ) ⎤⎦ + ⎡⎣ε (β zi , j ) ⎤⎦ (3)
γ zi , j ∈V ( H k ) β zi , j ∈V ( H k )

k i 6 k i 6
= ∑∑∑[ε (γ zi , j )]2 + ∑∑∑ [ε (β zi , j )]2
i =1 j =1 z =1 i = 2 j =1 z =1

6 k i 6 k i
= ∑∑∑ [ε (γ zi , j )]2 + ∑∑∑ [ε (β zi , j )]2
z =1 i =1 j =1 z =1 i = 2 j =1

k k
=6 ∑ i(2k+2i-1)2+6 ∑ (i-1)(2k+2i-2)2
i =1 i =2

k k
=6 ∑ i(4k +4i +8ki-4k-4i+1)+6 ∑ (i-1)(4k2+4i2+8ki-8k-8i+4)
2 2

i =1 i =1

= ∑ 24i3 + 6∑ (16k − 16)i 2 + 6∑ ( 8k 2 − 20k + 13) i − 6∑ ( 4k 2 − 8k + 4 )

k k k k

i =1 i =1 i =1 i =1

⎛ k (k −1) ⎞ ⎛ k (k + 1)(2k + 1) ⎞ ⎛ k (k −1) ⎞

2

= 24 ⎜ ⎟ + 96(k −1) ⎜ ⎟ + 6 ( 8k − 20k + 13) ⎜ ⎟ − 24(k − 1) ( k )

2 2

⎝ 2 ⎠ ⎝ 6 ⎠ ⎝ 2 ⎠
=(12k4+24k3+12k2)+(32k4+16k3-32k2-16k)+(24k4-36k3-21k2+39k)
-(24k2-48k+24)
Finally, ∀k∈ Z, the Fourth Zagreb index is equal to:
M4(Hk)=68k4+4k3-65k2+71k-24 (4)
Obviously, M4(H1=C6)=6(3)2=54 and the proof is complete.

Conclusion

In this paper, we have computed closed formula of Fourth Zagreb index for famous
Benzenoid molecular graph "Circumcoronene series of Benzenoid Hk (k≥1)".

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