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Topology, vibration and NMR spectra of fullerenes

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Chinese Science Bulletin

Abstract

The topological structure of the fullerenes with symmetryI h, I;T d, Th, T;D nd,D nh, Dn(n = 3, 5, 6) has been investigated. The infrared and Raman active vibration modes and NMR spectrum of fullerenes are obtained by use of the combination of graph and group theory methods.

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References

  1. Kroto, H. W., Heath, J. R., O’Brien, S. C.et al., C60: Buckminsterfullerene,Nature, 1985, 318: 162.

    Article  CAS  Google Scholar 

  2. Klein, D. J., Seitz, W. A., Schmalz, T. G., Icosahedral symmetry carbon cage molecules,Nature, 1986, 323: 703.

    Article  CAS  Google Scholar 

  3. Haymet, A. D. J., Footballene: A theoretical prediction for the stable, truncated icosahedral molecule C60.J. Am. Chem. Soc., 1986, 108: 319.

    Article  CAS  Google Scholar 

  4. Kroto, H. W., The stability of the fullerenes Cn withn =24, 28, 32, 36, 50, 60 and 70,Nature, 1987, 329: 529.

    Article  CAS  Google Scholar 

  5. Kikuchi, K., Nakahara, N., Wakabayashi, T.et al., NMR characterization of isomers of C78, C82 and C84 fullerenes,Nature. 1992, 357: 142.

    Article  CAS  Google Scholar 

  6. Fowler, P. W., Cremora, J. E., Steer, J. I., Systematics of bonding in non-icosahedral carbon clusters,Theor. Chim. Acta, 1988, 73: 1.

    Article  CAS  Google Scholar 

  7. Manolopoulos, D. E., Fowler, P. W., Molecular graphs, point group, and fullerenes,J. Chem. Phys., 1992, 96: 7603.

    Article  CAS  Google Scholar 

  8. Fowler, P. W., Manolopoulos, D. E., Remond, D. B.et al., Possible symetries of fullerene structures,Chem. Phys. Letters. 1993, 202: 371.

    Article  CAS  Google Scholar 

  9. Fowler, P. W., Morvan, V., Closed-shell fullerene and fullerold carbon cylinders,J. Chem. Soc., Faraday Trans., 1992, 88: 2631.

    Article  CAS  Google Scholar 

  10. Tang, A. C., Li, A. Y., Application of symmetry-adapted wavefunctions to systematic treatment of electronic structure of fullerenes,J. Chem. Soc., Faraday Trans., 1998, 94: 2505.

    Article  Google Scholar 

  11. Niles, J. C., Wang, X. Q., Structural and electronic properties of C78 isomers,J. Chem. Phys., 1995, 103: 7040.

    Article  CAS  Google Scholar 

  12. Woo, S. J., Kim, E., Lee, Y. H., Geometric, electronic, and vibrational structures of C50, C60, and C80,Phys. Rev. B, 1993, 47: 6721.

    Article  CAS  Google Scholar 

  13. Wang, X. Q., Wang, C. Z., Ho, K. M., Vibrational modes in C70: a first-principles study,Phys. Rev. B, 1995, 51: 8656.

    Article  CAS  Google Scholar 

  14. Tang, A. C., Li, A. Y., Vibration and NMR spectra of dihedral fullerenes,Inter. J. of Quantum Chemistry, 1998, 68: 211.

    Article  CAS  Google Scholar 

  15. Cox, D. M., Behal, S., Disko, M.et al., Chararterization of C60 and C70 clusters,J. Am. Chem. Soc., 1991, 113: 2930.

    Article  Google Scholar 

  16. Austin, S. J., Fowler, P. W., Orlandi, G.et al., Relative stabilities of C76 isomers, A numerical test of the fullerene isolated-pentagon rule.Chem. Phys Leters, 1994, 226: 219.

    Article  CAS  Google Scholar 

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Li, A., Tang, A. Topology, vibration and NMR spectra of fullerenes. Chin.Sci.Bull. 44, 1064–1074 (1999). https://doi.org/10.1007/BF02886129

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  • DOI: https://doi.org/10.1007/BF02886129

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