Stereoanalysis of fullerenes with a chiral molecular framework |
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Authors: | V. E. Kuzmin A. I. Zheltvay V. A. Chelombitko S. E. Alikhanidi |
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Affiliation: | (1) A. V. Bogatsky Physicochemical Institute, National Academy of Sciences of Ukraine, Ukraine |
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Abstract: | Stereoanalysis of three fullerene molecules with a chiral molecular framework C32, C76, and C78 and achiral fullerene C60 molecule was carried out. Comparative quantitative analysis of the degree of chirality showed topology to be the major factor governing the chirality of fullerenes. A procedure for determining the relative contribution of topological chirality to the total chirality of the molecule is proposed. Structural fragments responsible for chirality are found. The title fullerenes are assigned to the corresponding subclasses of homochirality. A classification system of isomeric fullerenes is proposed. |
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Keywords: | chiral fullerenes stereoanalysis chirotopological indices |
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