Computational determination of character table and symmetry of fullerenes cage as C24 and C28
Journal Title: Iranian Chemical Communication - Year 2016, Vol 4, Issue 1
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.
Authors and Affiliations
Mahboube Eslami Moghadam, Abdolghafar Abolhosseini Shahrnoy, Taghi Karimi, Satar Alyar
Keywords
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