Scopus (CiteScore 2022 =3.0, Q3) , ISC

Document Type : Original Research Article

Authors

1 Department of Mathematics, Iran University of Science and Technology (IUST) Narmak, 16844, Tehran, Iran

2 Department of Mathematics, Srinivasa Ramanujan Centre, SASTRA Deemed University, Kumbakonam-612 001, India

3 Department of Mathematics, School of Arts, Science and Humanities, SASTRA Deemed University, Thanjavur-613 401, Tamil Nadu, India

10.33945/SAMI/ECC.2020.6.1

Abstract

Mathematical chemistry is the area of research engaged in new application of Mathematics in Chemistry. Major areas of research in mathematical chemistry include chemical graph theory. Chemical graph theory applies graph theory to mathematical modeling of chemical phenomena. If G=(V(G),E(G)) is a connected graph,where V(G) is a non-empty set of vertices and E(G) is a set of edges, then the eccentric connectivity index of G (denoted by ξ(G)) was defined as ζ(G)=  where dv is the degree of a vertex v and ε(v) is its eccentricity. In this study, we investigated the eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs).

Graphical Abstract

The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)

Keywords

Main Subjects

[1] V. Sharma, R. Goswami, A.K. Madan, J. Chem. Inf. Model., 1997, 37, 273-282.
[2] M.J. Morgan, S. Mukwembi, H.C. Swart, Discrete Mathematics, 2011, 311, 1229-1234.
[3] A.R. Ashrafi, M. Ghorbani, M. Hemmasi, Dig.  J. Nanomater. Bios., 2009, 4, 483-486.
[4] S. Alikhani, M.A. Iranmanesh, Dig. J. Nanomater. Bios., 2011, 6, 253-257.
[5] I. Gutman, O.E. Polansky, Springer-Verlag, New York, 1998.
[6] M.A. Johnson, G.M. Maggiora, Wiley Interscience, New York, 1990.
[7] U.E. Wiersum, L.W. Jenneskens, Amsterdam., The Netherlands, 1997, 143–194.
[8] A.J. Berresheim, M. Muller, K. Müllen, Polyphenylene nanostructures. Chem. Rev., 1999, 99, 1747–1785.
[9] C.W. Bauschlicher, Jr, E.L.O. Bakes, Chem. Phys., 2000, 262, 285-291.
[10] A.M. Craats, J.M. Warman, K. Müllen, Y. Geerts, J. D. Brand, Adv. Mater., 1998, 10, 36-38.
[11] F. Morgenroth, C. Kübel, M. Müller, U.M. Wiesler, A.J. Berresheim, M. Wagner, K. Müllen, Carbon, 1998, 36, 833- 837.
[12] F. Dotz, J.D. Brand, S. Ito, L. Ghergel, K. Müllen, J. Am. Chem. Soc., 2000, 122, 7707-7717
[13] K. Yoshimura, L. Przybilla, S. Ito, J.D. Brand, M. Wehmeir, H.J. Rder, K. Müllen, Macromol. Chem. Phys., 2001, 202, 215-222.
[14] S.E. Stein, R.L. Brown, J. Am. Chem. Soc., 1987, 109, 3721-3729.
[15] F. Dietz, N. Tyutyulkov, G. Madjarova, K. Müllen,  J. Phys. Chem. B, 2000, 104, 1746-1761.
[16] J.B. Liu, X.F. Pan, L. Yu, D. Li, Discrete Appl. Math., 200, 2016, 95-107.
[17] J.B. Liu, X.F. Pan, Appl. Math. Comput., 2016, 291, 84-88.
[18] J.B. Liu, W.R. Wang, Y.M. Zhang, X.F. Pan, Discrete Appl. Math., 2016, 203,  217-225.
[19] J.B. Liu, X.F. Pan, F.T. Hu, F.F. Hu, Appl. Math. Comput., 2015, 253, 205–214.
[20] J.B. Liu, Ch., Wang, Sh. Wang, B. Malys. Math. Sci. So., 2019, 42, 67-78.
[21] J.B. Liu, X.-F. Pan, Appl. Math. Comput., 2016,  291, 84–88.
[22] J.B. Liu, J. Zhao, Zh. Zhu, Int J Quantum Chem., 2019, e25971.
[23] A. Soncini, E. Steiner, P.W. Fowler, R.W.A. Havenith, L.W. Jenneskens, Chem. Eur. J., 2003, 9, 2974-2981.
[24] K. Jug, T. Bredow, J. Comput. Chem., 2004, 25, 1551-1567.
[25] L. Guerrini, J.V. Garcia-Ramos, C. Domingo, S. Sanchez-Cortes, Anal. Chem., 2009, 81, 953–960.
[26] Webpage: G.C. Sloan Polycyclic aromatic hydrocarbons PAHs. http://isc.astro.cornell.edu/~sloan/research/pah_info.html
[27] J.H. Pacheco-Sanchez, G.A. Mansoori, Revista. Mexicana. de Fısica., 2013, 59, 584–593.
[28] M.R. Farahani, Adv. Mater. Corrosion, 2013, 1, 65-69.
[29] M.R. Farahani, Letters of Chemistry, Physics and Astronomy., 2014, 13, 1-10.
[30] M.R. Farahani, W. Gao, Journal of Chemical and Pharmaceutical Research, 2015, 7, 535-539.
[31] M.R. Farahani, M.R.R. Kanna, Journal of Chemical and Pharmaceutical Research, 2015, 7, 253-257.
[32] L. Yan, Y. Li, M.R. Farahani, M. Imran, M.R.R. Kanna, J. Comput. Theor. Nanosci., 2016, 13, 8874–8878.
[33] M.R. Farahani, World Appl. Sci. J., 2013, 21, 1260-1265.
[34] M.R. Farahani, Annals of West University of Timisoara-Mathematics and Computer Science. 2013, 51, 29–37.
[35] M.R. Farahani, Journal of Chemica. Acta., 2013, 2, 26-31.
[36] M.R. Farahani, Journal of Chemica. Acta., 2013, 2, 22-25.