Document Type: Original Research Article

Authors

1 Chemistry and Chemical Engineering Research Center of Iran. Tehran, Iran.

2 Department of Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran 14115-175, Iran

3 Department of Mathematics, Payame Noor University, P. O. BOX 19395-3697, Tehran, Iran

4 Department of Mathematics, Azad University, Bonab Branch, Bonab, Iran

Abstract

Fullerene chemistry is nowadays a well-established field of both theoretical and experimental investigations‎. This study considers the symmetry of small fullerenes cage C24 and C28‎. ‎Using PM3 program for C24 and C28 fullerenes, Oh and Td symmetry were confirmed, respectively‎. ‎ The mentioned algorithm to compute the automorphism group of these fullerenes with connectivity and geometry of their symmetry point groups‎ was improved. ‎Here‎, ‎we computed the symmetry of these small fullerenes by simple method such as Groups, Algorithms and Programming (‎GAP) system‎. ‎It was proved that there are groups of order 48 which has 10 conjugacy classes for C24 and 24 which has 5 conjugacy classes for C28, respectively‎. ‎Also, the conjugacy classes and character table were computed‎.

Graphical Abstract

Keywords

Main Subjects

[1] Y‎.G‎. ‎Smeyers‎, ‎Adv‎. ‎Quantum Chem., ‎ 1992, 24, 1-77‎.

[2] K‎. ‎Balasubramanian‎, ‎J‎. ‎Phys‎. ‎Chem.‎, ‎2004, 108, 5527-5536‎.

[3] A‎.R‎. ‎Ashrafi, M‎. ‎Hamadanian‎, ‎‎Croat‎. ‎Chem‎. ‎Acta‎, ‎2003, 76, 299-303‎.

[4] M‎. ‎Hamadanian, A.R‎. ‎Ashrafi‎, ‎Croat‎. ‎Chem‎. ‎Acta‎, 2003, 76, 305-312‎.

[5] T‎. ‎Karimi‎, ‎M‎. ‎Eslami Moghadam‎, ‎M‎. ‎Farrokhi D‎.G.‎, ‎M‎. ‎Aghaei‎, J. Argent. Chem. Soc.‎, 2011, 98, 60-70‎.

[6] R.K. Gupta, Physics of Particles, Nuclei and Materials, Recent Trends, Edition: 2002, Chapter: 10, Publisher: Narosa Publishing House, pp.171-192.

[7] S.C. O’Brien, J.R. Heath, R.F. Curl, R.E. Smalley, J. Chem. Phys. 1988, 88, 220-230.

[8] T. Guo, M.D. Diener, Y. Chai, M.J. Alford, R.E. Haufler, S.M. Mcclure, T. Ohno, J.H. Weaver, G.E. Scuseria and R.E. Smalley, Science, 1992, 257, 1661-1664.

[9] J. Sun, S. Caltapanides, H.F. Grutzmacher, J. Phys. Chem. A, 1998, 102(14) 2408-2414.

[10]  H. Prinzbach, A. Weiler, P. Landenberger, F. Wahl, J. Wörth, L.T. Scott, M. Gelmont, D. Olevano and B.V. Issendorff: Nature (London) 2000, 407, 60–63.

[11] H. Liu, H. Weng, J. Dong, J. Mol. Struc.(Theochem), 2004, 671, 93–95.

[12] A‎. ‎Hirsh and M‎. ‎Brettreich, (Wiley-VCH Verlag GmbH & Co‎. ‎KGaA‎, ‎Weinheim), 2005, 409-411‎.

[13] G‎.R‎. ‎Vakili-Nezhaad and A‎.R‎. ‎Ashrafi‎ , ‎ J. Phys.: Conf. Ser.‎, 2006, 29, 14–17‎.

[14] The GAP Group, GAP-Groups‎, ‎Algorithms‎, ‎and Programming‎, ‎Version 4.4.12 (2008) (http://www.gap-system.org/)‎.

[15] ‎Hyperchem‎, ‎Version 8.0.7 (2009) (http://www.hyper.com/)‎.

[16] M. Eslami Moghadam, ‎T. Karimi, M‎. ‎Farrokhi D‎.G., Int. J. Phys. Sci., 2011, 7(1) 73-80.

[17] M. Eslami Moghadam, ‎T. Karimi, M‎. ‎Farrokhi D‎.G., Int. J. Phys. Sci., 2011, 1(6) 57-63.