Issue |
Wuhan Univ. J. Nat. Sci.
Volume 28, Number 3, June 2023
|
|
---|---|---|
Page(s) | 192 - 200 | |
DOI | https://doi.org/10.1051/wujns/2023283192 | |
Published online | 13 July 2023 |
Mathematics
CLC number: O157.6
The Number of Perfect Matchings in (3,6)-Fullerene
School of Mathematics and Information Science, Henan Polytechnic University, Jiaozuo 454003, Henan, China
Received:
20
November
2022
A -fullerene is a connected cubic plane graph whose faces are only triangles and hexagons, and has the connectivity
or
. The
-fullerenes with connectivity
are the tubes consisting of
concentric hexagonal layers such that each layer consists of two hexagons, capped on each end by two adjacent triangles, denoted by
. A
-fullerene
with
vertices has exactly
perfect matchings. The structure of a
-fullerene
with connectivity
can be determined by only three parameters
,
and
, thus we denote it by
, where
is the radius (number of rings),
is the size (number of spokes in each layer,
,
is even), and
is the torsion (
). In this paper, the counting formula of the perfect matchings in
is given, and the number of perfect matchings is obtained. Therefore, the correctness of the conclusion that every bridgeless cubic graph with
vertices has at least
perfect matchings proposed by Esperet et al is verified for
-fullerene
.
Key words: perfect matching / (3,6)-fullerene graph / recurrence relation / counting formula
Biography: YANG Rui, female, Ph. D., Associate professor, research direction: graph theory and its application. E-mail: yangrui@hpu.edu.cn
Fundation item: Supported by National Natural Science Foundation of China (11801148, 11801149 and 11626089) and the Foundation for the Doctor of Henan Polytechnic University (B2014-060)
© Wuhan University 2023
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
0 Introduction
Let be a graph. A perfect matching of
is also called a Kekulé structure in mathematical chemistry. Since the study of Kekulé structure of molecules helps to study the structural stability, aromaticity and other chemical properties of molecules, chemists and graph theorists have paid extensive attention to Kekulé structure and its related properties[1]. For example, studying the sextet pattern of Kekulé structures in hydrocarbons can predict the relative stability and aromaticity of compounds[2], and calculating the number of Kekulé structures in hydrocarbons can estimate the resonance energy of compounds[3]. Therefore, it is of great theoretical significance to study the enumeration of perfect matchings of molecular graphs. Hence the enumeration problem for perfect matchings has played an important role in the chemical graph theory. For general graphs, the problem is NP-hard even in bipartite graphs[4]. Therefore, it is very difficult to obtain the formula of the perfect matchings in a graph.
A ‐fullerene
is a
-connected cubic planar graph whose faces are only
-length or hexagons. Došlić[5] showed that
-fullerene only exists for
and
. A
-fullerene is the ordinary carbon fullerene molecular graph for which the problem of establishing an exponential lower bound on the number of perfect matchings for all fullerene graphs was settled by Kardoš et al[6]. However, there is no systematic study on the number of perfect matchings in
-fullerenes and
-fullerenes. In the 1970s, Lovász and Plummer[7] conjectured that the number of perfect matchings of a cubic bridgeless graph
should grow exponentially with its order. It was solved in the affirmative by Esperet et al[8]. That is, every cubic bridgeless graph
with
vertices has at least
perfect matchings. And many scholars have given the enumeration formulas of perfect matchings for some graphs with special structures[9,10].
A -fullerene graph is a plane cubic graph whose faces are only triangles and hexagons. It is known that a
-fullerene graph is
-extendable[7] and has the connectivity
or
. The
-fullerenes with connectivity
are the tubes consisting of
concentric hexagonal layers such that each layer consists of two hexagons, capped on each end by two adjacent triangles, denoted by
. And a
-fullerene
with
vertices has exactly
perfect matchings [11-13]. The structure of a
-fullerene
with connectivity
can be determined by only three parameters
and
, thus we denote it by
, where
is the radius (number of rings),
is the size (number of spokes in each layer,
,
is even), and
is the torsion (
)[14-16]. A set of edges
of a graph
is called a matching if no two edges of
have a vertex in common. A perfect matching of a graph
is a matching
that covers all vertices of
[17-19]. Let
be a graph with perfect matchings. If two perfect matchings
and
of
have a different edge, then
and
are said to be two different perfect matchings of
. A graph
is called a planar graph if
can be drawn in the plane so that its edges intersect only at their ends. Such a drawing is called a planar embedding of
in the plane. If a graph contains a vertex whose degree is exactly one, then such a vertex is called a pendant vertex of the graph [18,19].
The paper is organized as follows. In Section 1, we recall some notions, definitions and lemmas which will be used throughout the paper. In Section 2, we give the counting formulas of the perfect matchings in .
1 Preliminaries
Let be a
-connected
-fullerene graph, where
,
,
. That is,
is a tubular
-fullerene consisting of
concentric hexagonal layers such that each layer consists of four hexagons, capped on each end by two opposite triangles and a hexagon. Since every simple
-connected planar graph has a unique planar embedding, for the sake of simplification,
also represents its planar embedding graph. Since
,
,
can be classified:
If
is odd and
, then
(see Fig. 1(a));
If
is odd and
,then
(see Fig. 1(b));
If
is even and
, then
(see Fig. 1(c));
If
is even and
, then
(see Fig. 1(d)). It is easy to verify that
. Therefore, there are three types of
in the sense of isomorphism.
![]() |
Fig. 1 A |
Proposition 1 If is a
-fullerene, then
is isomorphic to
,
, or
(see Fig. 1).
Let .Denote by
the
concentric rings of
from the inside to outside. The edge that is not on the concentric rings is called transversal edge. Let
, then there are exactly one
-length face, two
-length faces, and the rest are
-length faces in
. Let
be the
-length face in
, then there are four vertices of degree 2 and four vertices of degree 3 appearing on the boundary of f alternately. Denote by
the any two vertices of degree 2 on the boundary of
. Let
be adjacent to a pendant vertex, say
, and
adjacent to a pendant vertex, say
, such that
. Let
, then
is a subgraph of
. If
is odd, by Proposition 1, then
is isomorphic to
or
. Therefore,
is isomorphic to the graph shown in Fig. 2(a). Thus,
is isomorphic to
,
, or
according to the position of
(see Fig. 2).
![]() |
Fig. 2
|
Similarly, if is even, by Proposition 1, then
. Therefore,
is isomorphic to the graph shown in Fig. 3(a). Thus,
is isomorphic to
,
, or
according to the position of
(see Fig. 3).
![]() |
Fig. 3
|
Next, we give the number of perfect matchings in .
Lemma 1 Let be a
-fullerene, where
. Let
be a subgraph of
formed by removing the inner cap of
and adding two pendant vertices (see Figs. 2, 3 the subgraphs
). Denote by
the number of perfect matchings in
.
) If
is odd and
, then
) If
is odd and
, then
) If
is odd and
, then
) If
is even and
, then
) If
is even and
, then
) If
is even and
, then
Proof Let the planar embedding of be shown in Fig. 1. Let
be the perfect matchings set of
. Denote by
the
concentric rings of
from the inside to outside. Denote by
the vertices of
along the clockwise direction of
such that
and
are arranged on the same line for
,
.
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Then the labelling of the vertices of the graph
is shown in Fig. 4. Thus,
can be expressed as four types: denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
. Thus
,
. That is,
. Since
,
,
, then
![]() |
Fig. 4 The labelling of |
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Similarly, denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
. Thus
,
. That is,
. Since
,
,
, then
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Similarly, denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
. Thus
,
. That is,
. Since
,
,
,
, then
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Similarly, denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
. Thus
,
. That is,
. Since
,
,
,
, then
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Similarly, denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
. Thus
,
. That is,
. Since
,
,
, then
If , then denote by
the two pendant vertices such that
and
are adjacent to
and
respectively. Similarly, denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
.Thus
,
.That is,
. Since
,
,
, then
According to -
, we can obtain
By the definition of , we can get
and
. Equations
and
imply that
According to , combining
with
, we can obtain
Then it follows that . Let
, where
is odd. Then
. By canceling the items, we can get
. That is,
Equations and
imply that
satisfies the recurrence relation
The homogeneous relation is , and the characteristic roots are
. Therefore, the general solution is
We now seek a particular solution of the recurrence relation . We try
as a particular solution. Substituting
into (14), we now get
the above equation gives . Hence
is a solution for each choice of constants and
. To satisfy the initial condition
, then
. Since
is odd, then
. Substituting it into (15), we get
where is odd. Combining
with
, we obtain
where is odd. Combining
with
, we obtain
where is odd. Substituting formulas
,
and
into formulas
,
,
, respectively, we conclude that
where is even.
2 Main Results
By Proposition 1 and Lemma 1 , we can get the number of perfect matchings in .
Theorem 1 Let be a
-fullerene, where
. When
is odd and
, denote by
the number of perfect matchings of
. Then
Proof When is odd and
, by Proposition 1, then
(see Fig. 1(a)). Denote by
the
concentric rings of
from the inside to outside. Denote by
the vertices of
along the clockwise direction of
such that
and
are arranged on the same line for
,
. Let
be a set of transversal edges (see Fig. 5).
![]() |
Fig. 5 The labeled graph |
Let be the perfect matchings set of
and
the perfect matchings set of
containing
edges in
. Thus
,
. That is,
.
Since any perfect matching in does not contain any edge of
, any perfect matching
, the edges of
must belong to
. Thus there are two matching methods covering all vertices on
. According to the fractional multiplication, we can get
.
For , we select arbitrarily any traversal edge of
as matched edge which can not be extended to a perfect matching of
as at least one vertex on
is not covered, that is, there is no perfect matching in
; Similarly, there is no perfect matching in
. Thus
.
For , there is exactly one perfect matching, that is,
.
For ,
can be expressed as six types: denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
.Thus
,
. That is,
.
Next we give the proof idea for finding the number of perfect matchings of . Let
be a subgraph of
formed by removing the inner cap of
and adding two pendant vertices. Since
is odd,
. By Lemma 1, we know the number of perfect matchings in
. On the other hand, we can calculate the number of perfect matchings in
. Thus the number of perfect matchings of
can be obtained by using the fractional multiplication.
Let , that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
, where
and
represent the number of perfect matchings of
and
, respectively. By definition
, then
,
. Thus,
. Similarly, we can get
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
. By definition
, then
,
.Thus,
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. By definition
, then
. Thus,
.
Therefore, .
By Lemma 1, we can get the number of perfect matchings in .
Thus Theorem 1 is proved. On the other hand, we can verify that there are perfect matchings in
and
perfect matchings in
by a simple calculation, which is consistent with the result calculated by formula
.
Theorem 2 Let be a
-fullerene, where
. When
is odd and
, denote by
the number of perfect matchings of
. Then
Proof When is odd and
, by Proposition 1, then
(see Fig. 1(b)). Denote by
the
concentric rings of
from the inside to outside. Denote by
the vertices of
along the clockwise direction of
such that
and
are arranged on the same line for
,
. Let
be a set of transversal edges.
Let be the perfect matchings set of
and
the perfect matchings set of
containing
edges in
. Thus
,
. That is,
.
Since any perfect matching in does not contain any edge of
, any perfect matching
, the edges of
must belong to
. Thus there are two matching methods covering all vertices on
. According to the fractional multiplication, we can get
.
For , we select arbitrarily any traversal edge of
as matched edge which cannot be extended to a perfect matching of
as at least one vertex on
is not covered, that is, there is no perfect matching in
; Similarly, there is no perfect matching in
. Thus
.
For , there is exactly one perfect matching, that is,
.
For ,
can be expressed as six types: denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
.Thus
,
. That is,
.
Next we give the proof idea for finding the number of perfect matchings of . Let
be a subgraph of
formed by removing the inner cap of
and adding two pendant vertices. Since
is odd,
. By Lemma 1, we know the number of perfect matchings in
. On the other hand, we can calculate the number of perfect matchings in
. Thus the number of perfect matchings of
can be obtained by using the fractional multiplication.
Let , that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
, where
and
represent the number of perfect matchings of
and
, respectively. By definition
, then
,
. Thus,
. Similarly, we can get
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
. By definition
, then
,
.Thus,
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. By definition
, then
. Thus,
.
Therefore, .
By Lemma 1, we can get the number of perfect matchings in .
Thus Theorem 2 is proved. On the other hand, we can verify that there are perfect matchings in
by a simple calculation, which is consistent with the result calculated by formula
.
Theorem 3 Let be a
-fullerene, where
. When
is even, denote by
the number of perfect matchings of
. Then
Proof When is even, by Proposition 1, then
(see Fig. 1(c)). Denote by
the
concentric rings of
from the inside to outside. Denote by
the vertices of
along the clockwise direction of
such that
and
are arranged on the same line for
,
. Let
be a set of transversal edges.
Let be the perfect matchings set of
and
the perfect matchings set of
containing
edges in
. Thus
,
. That is,
.
Since any perfect matching in does not contain any edge of
, any perfect matching
, the edges of
must belong to
. Thus there are two matching methods covering all vertices on
. According to the fractional multiplication, we can get
.
For , we select arbitrarily any traversal edge of
as matched edge which can not be extended to a perfect matching of
as at least one vertex on
is not covered, that is, there is no perfect matching in
; Similarly, there is no perfect matching in
. Thus
.
For , there is exactly one perfect matching, that is,
.
For ,
can be expressed as six types: denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
; denote by
the perfect matchings set containing edges
.Thus
,
. That is,
.
Next we give the proof idea for finding the number of perfect matchings of . Let
be a subgraph of
formed by removing the inner cap of
and adding two pendant vertices. Since
is even,
. By Lemma 1, we know the number of perfect matchings in
. On the other hand, we can calculate the number of perfect matchings in
. Thus the number of perfect matchings of
can be obtained by using the fractional multiplication.
Let , that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
, where
and
represent the number of perfect matchings of
and
, respectively. By definition
, then
,
. Thus,
. Similarly, we can get
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
. By definition
, then
,
. Thus,
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in
, and the other part is the matching edges in
. From the fractional multiplication, we can get
. By definition
, then
,
. Thus,
. Similarly, we can get
. Let
, that is,
contains edges
. Then
can be divided into two parts: one part is the matching edges restricted in graph
, and the other part is the matching edges in
. By definition
, then
. Thus,
.
Therefore, .
By Lemma 1, we can get the number of perfect matchings in .
Thus Theorem 3 is proved. On the other hand, we can verify that there are perfect matchings in
by a simple calculation, which is consistent with the result calculated by formula
.
Let be a
-fullerene with
vertices. Since
has
concentric rings,
vertices on each ring, and all vertices of
are on these concentric rings, then
, that is,
. By combining Theorems 1-3, we can get the perfect matchings number of
.
Corollary 1 Let be a
-fullerene with
vertices, and denote by
the number of perfect matchings of
. Then
References
- Trinajstić N. Chemical Graph Theory[M]. Boca Ratan: CRC Press, 2018. [CrossRef] [Google Scholar]
- Randić M. On the characterization of local aromatic properties in benzenoid hydrocarbons[J]. Tetrahedron, 1974, 30(14): 2067-2074. [CrossRef] [Google Scholar]
- Swinborne R, Herndon W C, Gutman I. Kekulé structures and resonance energies of benzenoid hydrocarbons[J]. Tetrahedron Letters, 1975, 16(10): 755-758. [CrossRef] [Google Scholar]
- Valiant L G. The complexity of computing the permanent[J]. Theoretical Compute Science, 1979, 8(2): 189-201. [CrossRef] [MathSciNet] [Google Scholar]
- Došlić T. Cyclical edge-connectivity of fullerene graphs and (k, 6)-cages[J]. Journal of Mathematical Chemistry, 2003, 33(2): 103-112. [CrossRef] [MathSciNet] [Google Scholar]
- Kardoš F, Král' D, Miškuf J, et al. Fullerene graphs have exponentially many perfect matchings[J]. Journal of Mathematical Chemistry, 2009, 46(2): 443-447. [CrossRef] [MathSciNet] [Google Scholar]
- Lovász L, Plummer M D. Matching Theory[M]. New York: North-Holland Press, 1986. [Google Scholar]
- Esperet L, Kardoš F, King A D, et al. Exponentially many perfect matchings in cubic graphs[J]. Advances in Mathematics, 2011, 227(4): 1646-1664. [CrossRef] [MathSciNet] [Google Scholar]
- Feng X, Zhang L, Zhang M. Enumeration of perfect matchings of lattice graphs by Pfaffians[J]. Applied Mathematics and Computation, 2018, 338: 412-420. [CrossRef] [MathSciNet] [Google Scholar]
- Zhang L Z, Wei S L, Lu F L. The number of Kekulé structures of polyominos on the torus[J]. Journal of Mathematical Chemistry, 2013, 51(1): 354-368. [CrossRef] [MathSciNet] [Google Scholar]
- Yang R, Zhang H P. Hexagonal resonance of (3,6)-fullerens[J]. Journal of Mathematical Chemistry, 2012, 50(1): 261-273. [CrossRef] [MathSciNet] [Google Scholar]
- Sun C H, Zhang H P. On bicriticality of (3,6)-fullerene graphs[J]. Journal of Mathematical Chemistry, 2018, 56(9): 2785-2793. [CrossRef] [MathSciNet] [Google Scholar]
- Shi L J, Zhang H P. Forcing and anti-forcing numbers of (3,6)-fullerenes[J]. MATCH Commun Math Comput Chem, 2016, 76(3): 597-614. [MathSciNet] [Google Scholar]
- John P E, Sachs H. Spectra of toroidal graphs[J]. Discrete Mathematics, 2009, 309(9): 2663-2681. [CrossRef] [MathSciNet] [Google Scholar]
- Goodey P R. A class of Hamiltonian polytopes[J]. Journal of Graph Theory, 1977, 1(2): 181-185. [CrossRef] [MathSciNet] [Google Scholar]
- Grünbaum B, Motzkin T S. The number of hexagons and the simplicity of geodesics on certain polyhedra[J]. Canadian Journal of Mathematics, 1963, 15: 744-751. [CrossRef] [Google Scholar]
- Bondy J A, Murty U S R. Graph Theory[M]. Berlin: Springer-Verlag, 2008. [CrossRef] [Google Scholar]
- Brualdi R A. Introductory Combinatorics[M]. New York: North-Holland Press, 2009. [Google Scholar]
- Diestel R. Graph Theory[M]. New York: Springer-Verlag, 2005. [Google Scholar]
All Figures
![]() |
Fig. 1 A |
In the text |
![]() |
Fig. 2
|
In the text |
![]() |
Fig. 3
|
In the text |
![]() |
Fig. 4 The labelling of |
In the text |
![]() |
Fig. 5 The labeled graph |
In the text |
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.