1. Introduction
In this paper, we only consider simple and finite connected graphs, we refer to [
1] and the references cited therein. Chemistry has been widely studied and applied in graph theory. The chemical compounds can be described in chemical graph theory, vertices represent the atoms and edges stand for the covalent bonds between atoms.
The molecular formula of a compound can represent different molecular structures and characteristics, but theoretical chemists are concerned about the physical and chemical properties of a compound and its relationship with the molecular formula of a compound. The topological index is considered as one of the most important methods to establish the relationship between molecular structure and its physicochemical properties in chemical graph theory.
In reality, chemical molecules are various. The same element has different shapes, and the same molecule has different expression names. Hydrocarbons are a kind of very important substances, and their synthesis has always been an important research topic in the field of organic chemistry. Cyclooctatetraene is a typical unsaturated hydrocarbon, so more and more people study its structure and properties, and the research in chemical graph theory is more and more in-depth. In this article, we consider four kinds indices of cyclooctatetraene chains with
n octagons. And we simply consider the situation that is Starting from a vertex of a Cyclooctatetraene chain,connecting an edge to another octagon. For more information, we can refer to [
16,
17,
24,
29].
Let
be a graph, whose vertex is set
and the edge is set
. Then let
(or
for short), which represents the distance between two vertices
u and
v (of
G) , that is,
in
G is the shortest path between them. The famous Wiener index (or transmission)
of
is the sum of distances between all vertex pairs of vertices of
G. It was created by H.Wiener in 1947 [
34], that is
The Wiener index is one of the best studied, most understood, and widely used molecular shape descriptors, which is based on graph theory. Moreover, it becomes more and more widely used and studied, see [
3,
8,
10,
39].
A weighted graph [
38]
is a graph
together with the weight function
:
. Let ⊕ denote one of the four arithmetic operations
. Therefore, the weighted Wiener index
is defined as
Clearly, if and ⊕ represents the operation ×, then .
If ⊕ represents the operation × and
, then (2) is equivalent to
It is just the Gutman index. For the study of the possible chemical applications of Gutman index, and similar quantities, as well as their theoretical studies, polycyclic molecules are more difficult cases, see [
14].
If ⊕ denotes the operation + and
, then (2) is equivalent to
And it is just the Schultz index. More articles on developing such a topology indexes of the [
6,
11,
19,
35], such as mathematical properties, discrimination and applications refer to [
30].
The effective resistance distance
is the potential difference between
x and
y (of
G) induced by the unique
flow with an intensity of 1 that satisfies Kirchhoffs cycle law [
12], for more detailed information in [
4,
13,
20,
23]. The Wiener index for non-trees is the Kirchhoff index, this distance funtion proposed by Klein and Randić [
25], defined as
There are introduced the eccentric distance sum and the eccentricity resistance-distance sum, refer to [
18,
22,
26].
The multiplicative degree-Kirchhoff index is proposed by Chen and Zhang in 2007 [
7], see [
33] to study some details about it, which is defined as
thus, the invariance of this graph is represented as
where
are the eigenvalues of
. Furthermore,
is the normalized Laplacian matrix of the graph
G, which was proposed by Chung [
9]. The normalized Laplacian index and multiplicative degree-Kirchhoff index have important applications in mathematical chemistry and statistics. Their research has attracted more and more researchers’ attention.
The additive degree-Kirchhoff index is introduced by Gutman, Feng and Yu in 2012 [
15], we refer the papers [
32,
36], which is defined as
In this paper,we mainly talk about the cyclooctatetraene chain with n octagons, which are constructed by the following way.
Firstly,
is an octagon and
is the
Figure 1 graph with 2 octagons.
Secondly, The random cyclooctatetraene chain
with
n octagons is constructed by attaching a new terminal octagon
to
. We demonstrate this process by
Figure 2. As demonstrated in
Figure 3, we can attach the terminal hexagon
to
in four ways and denote the resulted figures by
,
,
,
respectively.
At each step, a random selection is made from one of the following possible constructions:
with probability ,
with probability ,
with probability ,
with probability ,
We consider four random variables
as our choice. If our choice is
, we let
, otherwise
,
, we can easily obtain that
and
.
By the above processes, we obtain a random polyphenylene chain . We always abbreviate to .
Noting that is a random graph, , , and are all random variables in probability. In the view of probability, one problem appears naturally. When n is big enough, whether the distribution of , , and will look like a distribution in probability or not.
In this paper, we make the following hypothesis.
Hypothesis 1.1. Our choice of attaching the new terminal hexagon to , are random and independently. In more accurate words, the series of random variables are independently and have the same law (9). For some , we have . Under Hypothesis 1.1, we give analytical expressions for the variances of , , and
2. The variances for the Gutman index and Schultz index of a random cyclooctatetraene chain
For a random cyclooctatetraene chain
, the Gutman index and Schultz index are random variables. In this section, we will consider the variances of
and
. In fact,
is
linked to a new terminal octagon
by an edge, where
is spanned by vertices
,
,
,
,
,
,
,
, and the new edge is
; see
Figure 1. On the hand, for all
, one has
On the other hand,
In [
40] Theorem 1, the author proves that
Now we introduce the first main result in this section.
Theorem 1.
If Hypothesis 1.1 is true, the following results are obtained. The variance of , which is the Gutman index of the random cyclooctatetraene chain , is given by
where
Proof. Let
then, by [
40] (5.1), we obtain
Recalling that
,
,
,
are random variables in
Section 1 which indicate our choice in the construction of
from
. We have the following four equalities.
If
, the above equality is obvious. So we only need to consider the case
, which implies
. In this case,
(of
) coincides with the vertex labelled
or
(of
), see
Figure 4. In this situation,
becomes
in the above, we have used (10)-(12). Thus, we conclude the desired equality.
As that in the proof of Equality 1, we only consider the case , that is . The proof is similar and we omit the details.
Equality 3.
we only consider the case
, that is
. The proof is the same as Equality 1 and we omit the details.
Equality 4.
we only consider the case
, that is
. The proof is also similar and we omit the details.
Noting that
, by the above discussions, it holds that
where for each
n,
. Therefore, by (15) we obtain
By direct calculation, one sees that
,
,
, where for any two random variables
X,
Y,
. By the properties of variance and interchanging the order of sums, it follows that
With the help of a computer, the above equality implies the desired result .
Now, we discuss the variance of the Schultz index of a random cyclooctatetraene chain.
In [
40] Theorem 2.3, we have
Then we state our results.
Theorem 2.
Assume Hypothesis 1.1, then the following results hold. The variance of , which is the Schultz index of the random cyclooctatetraene , is given by
where
Proof. by [
40] (5.2), we obtain
where
With similar discussion, we have the following four equalities.
If
, the above equality is obvious. So we only need to consider the case
, which implies
. In this case,
(of
) coincides with the vertex labelled
or
(of
),see
Figure 4. In this situation,
becomes
in the above, we have used (10)-(12). Thus, we conclude the desired equality.
Equality 2.As that in the proof of Equality 1, we only consider the case
, that is
. The proof is similar and we omit the details.
Equality 3.
we only consider the case
, that is
. The proof is the same as Equality 1 and we omit the details.
Equality 4.
we only consider the case
, that is
. The proof is also similar and we omit the details.
Noting that
,by the above discussions, it holds that
where for each
n,
. Therefore, by (15)
If we replace by in the proof of Theorem 1, the rest proof of this theorem is the same as that in the proof of Theorem 1 and we omit the details.
3. The variances of multiplicative and additive degree-Kirchhoff indices of a random cyclooctatetraene chain
In this section, we talk about the variances for and . For a random cyclooctatetraene chain , the multiplicative degree-Kirchhoff index and the additive degree-Kirchhoff index are random variables.
Recall that
is obtained by attaching
a new terminal octagon
by an edge, where
is spanned by vertices
,
,
,
,
,
,
,
, and the new edge is
; see
Figure 1. On the hand, for all
, one has
In [
40] Theorem 3, we have
Now we introduce the first main result in this section.
Theorem 3.
Assume Hypothesis 1.1, then the following results hold. The variance of , which is the multiplicative degree-Kirchhoff index of the random cyclooctatetraene , is given by
where
Proof. by [
40] (5.3), we see
where
Recalling that
are random variables in
Section 1 which indicate our choice in the construction of
from
. We have the following four equalities.
If
, the above equality is obvious. So we only need to consider the case
, which implies
. In this case,
(of
) coincides with the vertex labelled
or
(of
), see Figure 4. In this situation,
becomes
in the above, we have used (17)-(19). Thus, we conclude the desired equality.
Equality 2.As that in the proof of Equality 1, we only consider the case
, that is
. The proof is similar and we omit the details.
Equality 3.
we only consider the case
, that is
. The proof is the same as Equality 1 and we omit the details.
Equality 4.
we only consider the case
, that is
. The proof is also similar and we omit the details.
Noting that
, by the above discussions, it holds that
where for each
n,
. Therefore, by (22)
Now we consider
, in [
40] Theorem 3.3, we have
The variance of , is given by
Proof. by [
40] (5.4), we see that
where
Recalling that
are random variables in
Section 1 which indicate our choice in the construction of
from
. We have the following four equalities.
If
, the above equality is obvious. So we only need to consider the case
, which implies
. In this case,
(of
) coincides with the vertex labelled
or
(of
), see
Figure 4. In this situation,
becomes
in the above, we have used (17)-(19). Thus, we conclude the desired equality.
Equality 2.As that in the proof of Equality 1, we only consider the case
, that is
. The proof is similar and we omit the details.
Equality 3.
we only consider the case
, that is
. The proof is the same as Equality 1 and we omit the details.
Equality 4.
we only consider the case
, that is
. The proof is also similar and we omit the details.
Noting that
, by the above discussions, it holds that
where for each
n,
. Therefore, by (25)
If we replace by in the proof of Theorem 1, the rest proof of this theorem is the same as that in the proof of Theorem 1, we simply omit the details.