Skip to main content
SpringerLink
Log in

Theoretical study of structures and reactivities of the complexes of metals in the zero-valent state with fullerene ligands

  • Full Articles
  • Published:
Russian Chemical Bulletin Aims and scope

Abstract

Possible reaction routes of dimerization of intermediate fullerene-containing zero-valent metal complexes probably formed by the reduction of the phosphine-containing CoII and NiII complexes in the presence of C60 were analyzed using the density functional theory with the PBE functional. The found energetic effects of the formation of the binuclear complexes with different structures, including those containing the dimer of fullerene C120 performing a bridging function, together with the estimated energy barriers to the symmetry-forbidden 2+2 cycloaddition in the coordination sphere are crucial in the understanding of the structures of the observed reaction products.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. D. V. Konarev, S. S. Khasanov, E. I. Yudanova, R. N. Lyubovskaya, Eur. J. Inorg. Chem., 2011, 816.

    Google Scholar 

  2. D. V. Konarev, S. S. Khasanov, S. I. Troyanov, Y. Nakano, K. A. Ustimenko, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, Inorg. Chem., 2013, 52, 13934.

    Article  CAS  Google Scholar 

  3. D. V. Konarev, S. I. Troyanov, Y. Nakano, K. A. Ustimenko, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, Organometallics, 2013, 32, 4038.

    Article  CAS  Google Scholar 

  4. D. V. Konarev, S. I. Troyanov, Y. Nakano, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, Dalton Trans., 2014, 43, 17920.

    Article  CAS  Google Scholar 

  5. D. V. Konarev, S. I. Troyanov, K. A. Ustimenko, Y. Nakano, A. F. Shestakov, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, Inorg. Chem., 2015, 54, 4597.

    Article  CAS  Google Scholar 

  6. D. V. Konarev S. S. Khasanov, Y. Nakano, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, Inorg. Chem., 2014, 53, 11960.

    Article  CAS  Google Scholar 

  7. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett., 1996, 77, 3865.

    Article  CAS  Google Scholar 

  8. D. S. Sabirov, S. L. Khursan, R. G. Bulgakov, Fullerenes Nanotubes and Carbon Nanostructures, 2008, 16, 534.

    Article  CAS  Google Scholar 

  9. A. R. Tulyabaev, L. M. Khalilov, Omp. Theor. Chem., 2011, 976, 12.

    Article  CAS  Google Scholar 

  10. D. S. Sabirov, R. R. Garipova, R. G. Bulgakov, Fullerenes Nanotubes and Carbon Nanostructures, 2015, 23, 1051.

    Article  CAS  Google Scholar 

  11. P. Avramov, S. Sakai, H. Naramoto, K. Narumi, Y. Matsumoto, Y. Maeda, J. Phys. Chem. C, 2008, 112, 13932.

    Article  CAS  Google Scholar 

  12. E. G. Galpern, A. R. Sabirov, Y. N. Novikov, I. V. Stankevich, Russ. Chem. Bull. (Int. Ed.), 2011, 60, 1556 [Izv. Akad. Nauk, Ser. Khim., 2011, 1532].

    Article  CAS  Google Scholar 

  13. Y. F. Oprunenko, I. P. Gloriozov, J. Organometal. Chem., 2013, 732, 116.

    Article  CAS  Google Scholar 

  14. T. Weymuth, E. P. A. Couzijn, P. Chen, M. Reiher, J. Chem. Theory Comp., 2014, 10, 3092.

    Article  CAS  Google Scholar 

  15. D. Nazarian, P. Ganesh, D. S. Sholl, J. Mater. Chem. A, 2015, 3, 22432.

    Article  CAS  Google Scholar 

  16. D. N. Laikov, Y. A. Ustynyuk, Russ. Chem. Bull. (Int. Ed.), 2005, 54, 820 [Izv. Akad. Nauk, Ser. Khim., 2005, 804].

    Article  CAS  Google Scholar 

  17. W. J. Stevens, H. Basch, M. Krauss, J. Chem. Phys., 1984, 81, 6026.

    Article  Google Scholar 

  18. D. N. Laikov, Chem. Phys. Lett., 2005, 416, 116.

    Article  CAS  Google Scholar 

  19. F. L. Hirshfeld, Theor. Chim. Acta, 1977, 44, 129.

    Article  CAS  Google Scholar 

  20. R. G. Parr, P. W. Ayers, R. F. Nalewajski, J. Phys. Chem. A, 2005, 109, 3957.

    Article  CAS  Google Scholar 

  21. M. Hashiguchi, H. Inada, Y. Matsuo, Carbon, 2013, 61, 418.

    Article  CAS  Google Scholar 

  22. S. M. Lee, Y. H. Lee, J. Korean Phys. Soc., 2011, 58, 482.

    Article  CAS  Google Scholar 

  23. D. V. Konarev, A. V. Kuzmin, S. S. Khasanov, M. Ishikawa, A. Otsuka, H. Yamochi, G. Saito, R. N. Lyubovskaya, New J. Chem., 2013, 37, 2521.

    Article  CAS  Google Scholar 

  24. L. N. Sidorov, M. A. Yurovskaya, A. Ya. Borshchevskii, Fullereny: uchebnoe posobie [Fullerenes: School-Book], Ekzamen, Moscow, 2005, 688 pp. (in Russian).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, 1 prosp. Akad. Semenova, 142432, Chernogolovka, Moscow Region, Russian Federation

    A. F. Shestakov

Authors
  1. A. F. Shestakov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. F. Shestakov.

Additional information

Based on the materials of the International Conference “Organometallic and Coordination Chemistry. Achievements and Problems” (VI Razuvaev Readings, September 18—23, 2015, Nizhni Novgorod). To the 60th anniversary of the Institute of Problems of Chemical Physics, Russian Academy of Sciences.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2340—2350, October, 2016.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Shestakov, A.F. Theoretical study of structures and reactivities of the complexes of metals in the zero-valent state with fullerene ligands. Russ Chem Bull 65, 2340–2350 (2016). https://doi.org/10.1007/s11172-016-1586-6

Download citation

  • Received:

  • Revised:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11172-016-1586-6

Keywords

Search

Navigation