Full Non-rigid Group of Sponge and Pina |
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Authors: | M R Darafsheh Y Farjami A R Ashrafi M Hamadanian |
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Institution: | (1) Department of Mathematics, Statistics and Computer Science, Faculty of Science, University of Tehran, Tehran, Iran;(2) Department of Mathematics, Faculty of Science, University of Kashan, Kashan, Iran;(3) Department of Chemistry, Faculty of Science, University of Kashan, Kashan, Iran |
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Abstract: | The non-rigid molecule group theory (NRG) in which the dynamical symmetry operations are defined as physical operations is
a new field in chemistry. Smeyers and Villa computed the r-NRG of the triple equivalent methyl rotation in pyramidal trimethylamine
with inversion and proved that the r-NRG of this molecule is a group of order 648, containing a subgroup of order 324 without
inversions (see J. Math. Chem. 28(4) (2000) 377–388). In this work, a computational method is described, by means of which it is possible to calculate the
symmetry group of molecules. We study the full non-rigid group (f-NRG) of Sponge and Pina molecules with C
2 and C
i point groups, respectively. It proved that these are groups of order 162 and 13122 with 54 and 3240 conjugacy classes, respectively.
The character tables of these groups are also computed. |
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Keywords: | non-rigid group character table Sponge Pina |
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