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Structural and Electronic Characteristics of Endohedral Metallofullerenes: Y2C2@C82 and Y2@C84 Isomers

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Abstract

A quantum-chemical study was made of the structure and electronic characteristics of the novel endohedral metallofullerene Y2C2@C82 in comparison with the Y2@C84 isomer. The interactions between the encapsulated Y2C2 cluster and the C82 fullerene cage are ionic in nature. The electronic spectrum of Y2C2@C82 differs greatly from the "parent" C82 fullerene and has a metal-like form. The results are compared with existing experimental data.

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REFERENCES

  1. T. Nakane, Z. D. Xu, E. Yamamoto, et al., Fullerene Sci. Technol., 5, 829-838 (1997).

    Google Scholar 

  2. J. C. Duchamp, A. Demortier, K. R. Fletcher, et al., Chem. Phys. Lett., 375, 655-659 (2003).

    Google Scholar 

  3. L. Feng, J. X. Xu, Z. J. Shi, et al., Chem. J. Chin. Univ., 23, 996-998 (2002).

    Google Scholar 

  4. C. R. Wang, T. Kai, T. Tomiyama, et al., Angew. Chem., Int. Ed., 40, 397-399 (2001).

    Google Scholar 

  5. T. Inoue, T. Tomiyama, T. Sugai, and H. Shinohara, Chem. Phys. Lett., 382, 226-231 (2003).

    Google Scholar 

  6. T. Inoue, T. Tomiyama, T. Sugai, et al., J. Phys. Chem. B, 108, 7573-7579 (2004).

    Google Scholar 

  7. J. J. P. Stewart, J. Comput. Chem., 10, 209-218 (1989).

    Google Scholar 

  8. M. R. Press and D. E. Ellis, Phys. Rev. B, 35, 4438-4449 (1987).

    Google Scholar 

  9. P. W. Fowler and D. E. Manolopoulos, An Atlas of Fullerenes, Oxford University Press, Oxford (1995).

    Google Scholar 

  10. A. L. Ivanovskii, Zh. Neorgan. Khim., 48, 945-959 (2003).

    Google Scholar 

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Urals Branch, Russian Academy of Sciences, 91 Pervomaiskaya Ul., 620219, Ekaterinburg, Russian Federation

    A. N. Enyashin & A. L. Ivanovskii

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  1. A. N. Enyashin
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  2. A. L. Ivanovskii
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Enyashin, A.N., Ivanovskii, A.L. Structural and Electronic Characteristics of Endohedral Metallofullerenes: Y2C2@C82 and Y2@C84 Isomers. Theoretical and Experimental Chemistry 40, 273–276 (2004). https://doi.org/10.1023/B:THEC.0000049071.78404.f9

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  • DOI: https://doi.org/10.1023/B:THEC.0000049071.78404.f9

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