On functionalized fullerenes C 60 X n
- 69 Downloads
Optimal configurations of functionalized fullerenes C 60 X n for n = 2, 4, 6, 8 have been determined by application of three topological stability measures. It has been found that the optimal configurations with higher n contain optimal configurations with lower values of n. Two stability measures prefer configurations in which functional groups Xs are crowded while the third one points to configurations with isolated pairs of Xs.
KeywordsBuckminsterfullerene Functionalized fullerenes Aromaticity
Unable to display preview. Download preview PDF.
- 4.Vukičević D., Kroto H.W., Randić M.: Atlas of Kekulé valence structures of Buckminsterfullerene. Croat. Chem. Acta 78, 223–234 (2005)Google Scholar
- 5.M. Randič, H.W. Kroto, D. Vukičević, Kekulé Structures of Buckminsterfullerene. Adv. Quantum Chem. (submitted)Google Scholar
- 6.Trinajstić N.: Chemical Graph Theory. CRC Press, Boca Raton (1992)Google Scholar
- 7.D. Vukičević, A. Graovac, Work in progressGoogle Scholar