Abstract
Let \(G=(V, E)\) be an undirected graph with the vertex set V and the edge set E \((|V|=n, |E|=m)\). The spectrum of eigenvalues of G is the (multi)set of all eigenvalues \(\lambda _{j}\) \((\lambda _{1}\ge \lambda _{2}\ge \cdots \ge \lambda _{n})\) of its adjacency matrix \(A=[a_{jk}]_{j,k=1}^{n}\). The inertia (set or indices) of the matrix A (graph G) is the triple \(\{n_{+}, n_{-}, n_{0}\}\), where \(n_{+}, n_{-}, n_{0}\) are the numbers of positive, negative, and zero eigenvalues of A (G), respectively. Let \(d_{1}, d_{2}, \ldots , d_{n}\) be a vertex degree sequence of G, and let \({\mathcal {H}}=\{H_{1}, H_{2}, \ldots , H_{n}\}\) be a (multi)set of connected undirected graphs with \(|V(H_{j})|=d_{j}\) \((j\in \{1, 2, \ldots , n\})\). We consider the complete vertex decoration \(G({\mathcal {H}})\) of G using the graphs \(H_{j}\), when each vertex \(v_{j}\) of G is decorated (replaced) by the respective graph \(H_{j}\) with the vertex set \(\{u_{1}, u_{2}, \ldots , u_{d_{j}}\}\). In the vertex-decorated graph \(G({\mathcal {H}})\), each vertex \(u_{j}\) of \(H_{j}\) serves as a new \(v_{j}\)-end vertex for the former edge \(v_{j}v_{k}\) of G. Considering an edge as a pair of opposite arcs with common endpoints, we determine how the inertia and energy gap of \(G({\mathcal {H}})\) depend on the attachment of the same weight w to all arcs of the \({\mathcal {H}}\)-edges of \(G({\mathcal {H}})\). Some further generalizations and possible links to problems in chemistry are also briefly discussed.
Similar content being viewed by others
References
D.M. Cvetković, M. Doob, H. Sachs, Spectra of Graph—Theory and Application (VEB Deutscher Verlag der Wissenschaften, Berlin, 1980 (Academic Press, New York, San Francisco, London, Also, 1980)
D. Hershkowitz, Matrix stability and inertia, Ch. 19, in Handbook of Linear Algebra. ed. by K.H. Rosen (Chapman & Hall/CRC, Taylor & Francis Group, Boca Raton, 2007)
R.A. Horn, C.R. Johnson, Matrix Analysis (Cambridge University Press, Cambridge, 1985, 2013)
C.A. Coulson, G.S. Rushbrooke, Note on the method of molecular orbitals. Proc. Camb. Philos. Soc. 36, 193–200 (1940)
J.R. Dias, Molecular Orbital Calculations Using Chemical Graph Theory (Springer, Berlin, Heidelberg, 1993)
A. Tang, Y. Kiang, G. Yan, S. Tai, Graph Theoretical Molecular Orbitals (Science Press, Beijing, 1986)
L. Lovász, M.D. Plummer, Matching Theory (American Mathematical Society, Providence, Rhode Island, 2009. First edition: Elsevier Science Publishers B.V., Amsterdam, and Akadémiai Kiadó, Budapest, 1986; (Russian translation: Mir, Moscow, 1998)
D.J. Klein, C.E. Larson, Eigenvalues of saturated hydrocarbons. J. Math. Chem. 51(6), 1608–1618 (2013)
V.R. Rosenfeld, The spectrum of the vertex quadrangulation of a 4-regular toroidal graph and beyond. J. Math. Chem. 59(6), 1551–1569 (2021)
V.R. Rosenfeld, Y. Yang, Close-to-zero eigenvalues of the rooted product of graphs. J. Math. Chem. 59(6), 1526–1535 (2021)
M.V. Diudea, V.R. Rosenfeld, The truncation of a cage graph. J. Math. Chem. 55(4), 1014–1020 (2017)
S. Samson, Structural principles of giant cells, in Developments in the Structural Chemistry of Alloy Phases. ed. by B.C. Giessen (Springer, New York, 1969), pp. 65–106
Y. Zheng, Q.-C. Zhang, L.-S. Long, R.-B. Huang, A. Müller, J. Schnak, L.-S. Zheng, Z. Zheng, Molybdate templated assembly of \({\rm Ln}_{12}{\rm Mo}_{4}{-type cluster ({\rm Ln=Sm, Eu, Cd}})\) containing a truncated tetrahedron core. Chem. Commun. 49, 36–38 (2013)
S. Ishikawa, T. Yamabe, Theoretical study of hydrogen storage in a truncated tetrahedron hydrocarbon. Appl. Phys. A 123, Article number: 119 (2017)
S. Ishikawa, T. Nemoto, T. Yamade, Theoretical study of hydrogen storage in a truncated triangular pyramid molecule consisting of pyridine and benzene rings bridged by vinylene groups. Appl. Phys. A 124, 418 (2018)
A. Nemirowski, H.P. Reisenauer, P.R. Schreiner, Tetrahedrane—Dossier of an unknown. Chem. Eur. J. 12(28), 7411–7420 (2006)
Tetrahedrane. Wikipedia. https://en.wikipedia.org/wiki/Tetrahedrane. 11 Aug 2021
F. Pan, L. Guggolz, S. Dehnen, Cluster chemistry with (pseudo-)tetrahedra involving group 13–15 (semi-)metal atoms. CCS Chem. 3, 2969–2984 (2021)
G. Maier, S. Pfriem, U. Schäfer, R. Matusch, Tetra-tert-butyltetrahedrane. Angew. Chem. Int. Ed. Engl. 17(7), 520–521 (1978)
M. Nakamoto, Y. Inagaki, T. Ochiai, M. Tanaka, A. Sekiguchi, Cyclobutadiene to tetrahedrane: valence isomerization induced by one-electron oxidation. Heteroatom. Chem. 22(3–4), 412–416 (2011)
F. Spitzer, M. Sierka, M. Latronico, P. Mastrorilli, A.V. Virovets, M. Scheer, Fixation and release of intact \({\rm E}_{4}\) tetrahedra (E = P, As). Angew. Chem. Int. Ed. 54(14), 4392–4396 (2015)
M. Seidl, G. Balázs, M. Scheer, The chemistry of yellow arsenic. Chem. Rev. 119(14), 8406–8434 (2019)
L. Giusti, V.R. Landaeta, M. Vanni, J.A. Kelly, R. Wolf, M. Caporali, Coordination chemistry of elemental phosphorus. Coord. Chem. Rev. 441, 213927 (2021)
H. Minc, Permanents (Addison-Wesley, Reading, Massachusetts, 1978)
Acknowledgements
The support of the Ministry of Aliah and Integration of the State Israel (through fellowship “Shapiro”) is acknowledged.
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Rosenfeld, V.R. The inertia and energy gap of a vertex-decorated graph with identically weighted ‘internal’ edges and beyond. J Math Chem 60, 502–513 (2022). https://doi.org/10.1007/s10910-021-01317-4
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10910-021-01317-4