Abstract
Let G be a graph with n vertices, let be an adjacency matrix of G and let be the characteristic polynomial of . The adjacency spectrum of G consists of eigenvalues of . A graph G is said to be determined by its adjacency spectrum (DS for short) if other graphs with the same adjacency spectrum as G are isomorphic to G. In this paper, we investigate the spectral characterization of unicycle graphs with only two vertices of degree three. We use to denote the graph obtained from by identifying its pendant vertex and the vertex of degree two of , where is the graph obtained by identifying a vertex of and a pendant vertex of . We use to denote the graph obtained from circle with the vertices by adding one pendant edge at vertices and , respectively. It is shown that (, , ) and (, ) are determined by their adjacency spectrum.
1. Introduction
All graphs considered here are finite and simple. Undefined notations and terminologies will conform to those in [].
For a graph G with vertices and edges, we denote by the vertex set and by the edge set of G. Let be the degree of vertex v in G. By and we denote the graphs obtained from G by deleting the vertex v and the edge e. Let G and H be two graphs, we denote by the disjoint union of G and H and by the disjoint union of m copies of H. We denote by and the path and the cycle with n vertices, respectively. For and , we write and . Let denote a tree with a vertex v of degree three such that , write .
For a graph G with n vertices, using denotes the adjacency matrix of G. The order of is n. The element of is equal to 1 if vertices i and j are adjacent and equal to 0 otherwise. Denote by the characteristic polynomial of the adjacency matrix , which is a polynomial function of with degree n. Since is a real symmetric matrix, its eigenvalues are all real numbers. Therefore, we assume that are the adjacency eigenvalues. The multiset of eigenvalues of is called the adjacency spectrum of G. The maximum eigenvalue of is called the index of G. Two graphs are said to be cospectral with respect to the adjacency matrix if they have the same adjacency spectrum. A graph is said to be determined by its adjacency spectrum (DS for short) if there is no other non-isomorphic graph with the same spectrum with respect to the adjacency matrix.
The authors in [,,] investigated the cospectrality of graphs up to order 11 and provided a survey on spectral characterizations of graphs. In particular, [,] have shown that the unicycle graphs with only one vertex of degree three (lollipop graph) are determined by their adjacency spectrum. The authors in [,,] provided some DS-graphs of nearly regular bicyclic graphs with two vertices of the maximum degree three, that is, -graphs and dumbbell graphs, where -graph (by ) is a graph consisting of two given vertices joined by three paths whose order is , and , respectively, with any two of these paths having only the given vertices in common. The dumbbell graph (by ) consisted of two vertex-disjoint cycles , and a path , joining only its end-vertices that were in common with the cycles. Many graphs with special structures have been proved to be determined by their spectrum; see [,,,,,,].
The structure of a molecule is important for chemists, which can be regarded as a simple graph. For a molecule, the atoms can be replaced by vertices of a graph and the bonds between the atoms and the atoms themselves can be replaced by the edges of a graph. It is convenient to use the adjacency matrices of graphs to denote molecules. Recently, there has been a lot of research on molecular alignment, such as [,,,]. In [], the authors introduced two invariants and and provided a method to find DS graphs. In this paper, by applying the method, we investigate the spectral characterization of unicycle graphs with only two vertices of the maximum degree three. The necessary and sufficient condition for and to be DS shall be given, where and are exhibited in Figure 1.

Figure 1.
and .
2. Some Lemmas
For a graph G, is the characteristic polynomial of G. In this section, we provide some basic lemmas.
Lemma 1
([]). Let G be a graph consisting of components . Then
Lemma 2
([]). Let G be a graph with the vertex v and the edge e. Denote by the set of all cycles in G containing a vertex v (resp. an edge ). Then, we have
(i)
(ii)
Lemma 3
([]). Let G be a graph with n vertices. Then
(i) ,
(ii) .
Write , where and .
In [], we introduced two invariants related to some coefficients of characteristic polynomials of G. One can find the following results from [].
Definition 1
([]). Let G be a graph, the parameter is defined by the following
Definition 2
([]). Let G be a connected graph. Set .
Lemma 4
([]). (i) Let G and H be two graphs such that . Then
(ii) Let G be a graph with k components . Then
Lemma 5
([]). Let G be a connected graph. Then
(i) , and the equality holds if and only if .
(ii) All connected graphs with are given in Table 1.

Table 1.
Graphs with .
Lemma 6
([]). All roots of and are the following:
Let , set , then it is useful to write the characteristic polynomial of and in the following form:
(1) ,
(2) .
Lemma 7
([]). Let H be a proper subgraph of a connected graph G, .
Lemma 8
([]). For a graph G of n vertices with , let , then
Lemma 9
([]). The list of all connected graphs with an index of less than two includes precisely the following graphs: (1) for ;
(2) for .
3. Main Results
For convenience, we denote by the set , for , and by the set , for . In this section, we shall show that without and as its subgraphs and without as its subgraph are DS with respect to their adjacency spectrum.
Lemma 10.
Let H be a graph with and , we have
(i) if , , then , the equality holds if and only if , where , and .
(ii) if , then , the equality holds if and only if and H does not contain as its subgraphs, where , , and .
(iii) if , then , where .
Proof.
For a graph G with , is said to be the product degree of the edge . We denote by the product degree sequence of G, that is, , where . Now we prove the lemma by considering the product degree sequence of H.
(i) Let and . Then takes the following cases: , and , where in the sets means that H has k edges of the product degree a. Clearly, attain the minimum value if and only if . Therefore, by Lemma 3(ii), with the equality holding if and only if , which implies and . Thereefore, (i) is true.
(ii) Let . To observe all distinct product degree sequences of a graph in , one can find that attains the minimum value if and only if , which implies . By Lemma 3(ii), (ii) holds.
With a complete similar argument with that of (i) and (ii), one can prove that (iii) is true. □
Lemma 11.
Let and . Then , where and , is not cospectral with .
Proof.
By Lemmas 1 and 2, the characteristic polynomials of can be computed as follows:
From Lemma 6, we can write as follows (using Mathematica5.0):
where and
Using the same method to deal with the characteristic polynomials of , we obtain
Suppose that and are cospectral, which gives . We consider the possible largest exponents term of They are , and their combinations. All the possible combinations of terms are: , The coefficients of the front terms are −1, −2, −5, −3, −6, −7, and −8, respectively.
Case 1: . Substituting it into , we obtain
We consider the possible largest exponents term of They are and their combinations. All the possible combinations of terms are: The coefficients of the front terms are −2, −4 and −6, respectively. It is not difficult to see that the largest exponent terms of and are the same.
Suppose the largest exponent term of is , which gives so we obtain which is contradicted with Suppose the largest exponent term of is , which gives and , which is contradicted with Suppose that the largest exponent term of is ; there is not a combination in of which the coefficient is −4. It is a contradiction.
Case 2. If , the possible largest exponent terms of are , , and their combinations. All the possible combinations of terms are: , The coefficients of the front terms are and , respectively. It is not difficult to see that the largest exponent terms of and are the same. We consider the following possible cases:
Subcase 2.1. Suppose that the largest exponent term of is . This gives so we obtain which is contradicted with Suppose that the largest exponent term of is . This gives so we obtain Since , we obtain and , which is contradicted with Suppose that the largest exponent term of is . This gives so we obtain which is contradicted with Suppose that the largest exponent term of is ; there is not a combination in of which the coefficient is −4. It is a contradiction.
Subcase 2.2. Suppose that the largest exponent term of is , , which gives and the coefficient of it is −5. We obtain At the same time, the largest exponent term of is . It is obviously , so Substitute into , subtracting the same terms from and simultaneously. We obtain
The largest exponent term of is The largest exponent term of may be and their combinations. However, the coefficient which equals −2 is only . Therefore, we obtain , then . Since , we obtain , which is contradicted with
Subcase 2.3. Suppose that the largest exponent term of is which gives , and the coefficient of it is −6. We obtain At the same time, the largest exponent term of is . It is obviously , so we obtain . We also know that , so , which is contradicted with
Subcase 2.4. Suppose that the largest exponent term of is , , which gives and the coefficient of it is −7. We obtain At the same time, the largest exponent term of is . It is obviously , so we obtain . We also know that , so , which is contradicted with Then, we complete the proof of Lemma 11. □
Lemma 12.
(i) Let and . If , then and are cospectral if and only if and .
(ii) Let and . If , then and are cospectral if and only if and .
Proof.
(i) Suppose that and are cospectral, which gives . Similarly with , one can easily obtain
By eliminating the same terms of and , we obtain
The smallest possible terms of are , and their combination . The smallest possible terms of are , and their combination . The coefficients of the front terms are −2, −1 and −3.
Case 1. Suppose the smallest term of is . Since , we can easily obtain the smallest term of , which is , which gives . Substituting it into and eliminating the same terms of and , we obtain
Obviously, the smallest term of is , and so is of . Since , we obtain .
Case 2. Suppose the smallest term of is or . Similarly to Case 1, we obtain and . We complete the proof of Lemma 12(i).
(ii) Similarly to the proof of (i), we can easily obtain (ii). Then, we complete the proof of Lemma 12. □
Theorem 1.
Let . Then , , is determined by its adjacency spectrum.
Proof.
Let H be a graph cospectral with . Without loss of generality, we assume that H has k connected components , , ⋯, . By Lemma 4 and Table 1, it follows that
By Lemma 5, it is easy to see that , for . Therefore, H has exactly one component, say , such that and for , or H has exactly two components, say and , such that and for .
Now we observe the largest eigenvalue and the second eigenvalue of . By Lemmas 6 and 7, we obtain . Choose the middle vertex u of degree three of such that . By Lemmas 8 and 9, we obtain . Hence, we know that 2 is not the eigenvalue of , which implies that H does not contain C as its component. Therefore, we distinguish the following cases:
Clearly, and , so and . Note that and , which contradict with .
Case 2. and for . By Lemma 5 and Table 1,
and has no subgraphs .

Figure 2.
All connected graphs with .
Clearly, for each ; for each ; for and for each . Since , we arrive at
(i) , or
(ii) , where and .
Suppose that and H have no subgraphs . Then H and have the same degree sequence and number of ’s. Therefore, by Lemma 3 we obtain that for . From Lemma 10(ii), we have that and H does not contain as its subgraphs, where , , and . By Lemmas 11 and 12(i), we obtain .
Suppose that . By Lemma 10(ii), we have , which implies from Lemma 3. Therefore, the theorem holds. □
Lemma 13.
Let and . Then, we have , where and is not cospectral with .
Proof.
For convenience, we use F instead of . We deal with the characteristic polynomials of F in the same way as Lemma 11. By eliminating the same terms, we obtain
,
Case 1. . Substituting it into , we obtain
Obviously, the largest exponent term of is and the smallest exponent term of is . The difference of the two exponents is six.
Subcase 1.1. . Substituting it into , we obtain
.
Obviously, the largest exponent term of is . The coefficients of the largest term of and are different, which is a contradiction.
Subcase 1.2. If , one can see the smallest term of is , while the largest term of is . The difference of two exponents is , which is not six.
Case 2. If , the possible largest exponent terms of are , and their combinations. The coefficients of the front terms are −1, −2 and , respectively. When , the coefficient of the largest term of is −4, which does not appear in . If , one can see the smallest term of is , while the largest term of is . The difference of two exponents is . Therefore, the largest term of is , which gives . We obtain . Thus, the smallest exponent term of is . The difference of the two exponents is six. This results in a contradiction. Then, we complete the proof of Lemma 13. □
Lemma 14.
Let . Then, we have , which are not cospectral with and .
Proof.
. Suppose is cospectral with H, which gives , where . It is not hard to see that both the length and the number of shortest odd cycles in and H are the same. contains an odd cycle with the length 25, and so does H. Suppose , we can easily obtain or . Then, we have , which is contradicted with . Suppose , we can easily obtain or . Then, we have , which is contradicted with .
. Suppose is cospectral with H, which gives , and , where . is a biparticle graph, and so is H. Suppose , we can easily obtain , where . Since , one can see and . We calculate the eigenvalues of and . The eigenvalues of are The eigenvalues of are We can see −1.414214 is a eigenvalue of H; however, it is not a eigenvalue of . This results in a contradiction. Suppose , we can easily obtain , where . Since , one can see or . or . If , we arrive at a contradiction. We calculate the eigenvalues of , which are We can see −1.618034 is a eigenvalue of H, with multiplicity at least 2. However, it is a simple eigenvalue of . This results in a contradiction.
. Suppose is cospectral with H, which gives , and , where . is biparticle graph, and so is H. Suppose , we can easily obtain , where . Since , . , which a contradiction. Suppose , we can easily obtain , where . Since , one can see . Thus, , and we have arrived at a contradiction. Then, we complete the proof of Lemma 14. □
Theorem 2.
Let and . Then, is determined by its adjacency spectrum.
Proof.
Let H be a graph cospectral with . Without loss of generality, we assume that H has k connected components , , ⋯, . By Lemma 4 and Table 1, it follows that
By Lemma 5, it is easy to see that , for . Therefore, H has exactly one component, say , such that and for , or H has exactly two components, say and , such that and for .
Now, we observe whether two is the root of or not. By Lemma 1 and 2, we have . If two is the root of , we obtain . contains two as its root, if and only if . We consider the following case.
Case 1. If , we know that two is not the eigenvalue of , which implies that H does not contain C as its component. Therefore, we distinguish the following cases:
Subcase 1.1. and for . By Lemma 5 and Table 1,
Clearly, and , so and . Suppose that H has no subgraphs . Then, H and have the same degree sequence and number of ’s. Therefore, by Lemma 3 we obtain that . From Lemma 10 (i), we have that . By Lemma 13, is not cospectral with .
Subcase 1.2. and for . By Lemma 5 and Table 1,
and has no subgraphs .
Clearly, for each ; for each ; for and for each . Since , we arrive at
(i) , or
(ii) , where and .
Suppose that and H have no subgraphs . Then H and have the same degree sequence and number of ’s. Therefore, by Lemma 3 we obtain that for . From Lemma 10 (ii), we have that and H does not contain as its subgraphs, where , , and . By Lemmas 11 and 12(i), we obtain .
Suppose that . By Lemma 10 (ii), we have , which implies from Lemma 3. Therefore, in this case, the theorem holds.
Case 2. If , we know that 2 is a eigenvalue of . H may contain C as its component. Now, we observe the largest eigenvalue, the second and third eigenvalue of . By Lemmas 6 and 7, we obtain . Choose the vertex u of degree three of , such that . Choose the vertex v of degree three of , such that . By Lemmas 8 and 9, we obtain . Hence, we know that at most has two eigenvalues, which are not smaller than two. has three eigenvalues, which are not larger than two. We have . By Lemma 10, we can easily obtain , where . Thus, we just consider . By Lemma 14, we have H, which is not cospectral with . Then, we complete the proof. □
Author Contributions
J.Y. and H.Z. contributed equally to conceptualization, methodology, validation, formal analysis.; J.Y., H.Z., X.M. and J.L.: writing—review and editing. All authors read and approved the final manuscript.
Funding
This research was funded by NSFC 11801296, 11961055, the Qinghai Province Natural Science Funds 2019-ZJ-7012 and the 111 Project (D20035).
Institutional Review Board Statement
Not applicable.
Informed Consent Statement
Not applicable.
Data Availability Statement
Not applicable.
Conflicts of Interest
The authors declare no conflict of interest.
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