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Quantum-chemical investigation of methane intercalation into the interplane space of graphite-like systems

  • Structure of Matter and Quantum Chemistry
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Abstract

A quantum-chemical investigation is performed on the possibility of methane molecule intercalation between graphite-like planes. Ovalene dimer and its clathrates were used as models. We conclude that the existence of inclusion compounds of methane in graphite-like systems is possible. However, these compounds are endothermic, i.e., unstable. It is established that the structure with four methane molecules forms no bound supramolecular system. Clathrates with one, two, and three methane molecules may exist. The most stable of these is the clathrate with methane in the form of a dimer.

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References

  1. Yu. M. Korolev, Khim. Tverd. Topl., No. 6, 11 (1989).

  2. A. Wells, Structural Inorganic Chemistry (Clarendon, Oxford, 1984), Vol. 3.

    Google Scholar 

  3. V. S. Ostrovskii, Yu. S. Virgil’ev, V. I. Kostikov, and N. N. Shipkov, Artificial Graphite (Metallurgiya, Moscow, 1986) [in Russian].

    Google Scholar 

  4. S. D. Chakarova-Käck, A. Vojvodic, J. Kleis, et al., New J. Phys. 12, 013017 (2010).

    Article  Google Scholar 

  5. M. W. Shmidt, K. K. Baldridge, and J. A. Boatz, J. Comput. Chem. 14, 1347 (1993).

    Article  Google Scholar 

  6. B. Bezbaruah, P. Hazarika, A. Gogoi, et al., J. Biophys. Chem. 2, 32 (2011).

    Article  CAS  Google Scholar 

  7. S. D. Chakarova and E. Schroder, J. Chem. Phys. 122, 054102 (2005).

    Article  Google Scholar 

  8. A. K. Rappe and E. R. Bernstein, J. Phys. Chem. A 104, 6117 (2000).

    Article  CAS  Google Scholar 

  9. R. L. Rowley and T. Pakkanen, J. Chem. Phys. 110, 3368 (1999).

    Article  CAS  Google Scholar 

  10. T. G. Metzger, W. A. Glauser, and D. M. Ferguson, J. Comput. Chem. 18, 70 (1997).

    Article  Google Scholar 

  11. A. V. Eletskii, Phys. Usp. 47, 1119 (2004).

    Article  CAS  Google Scholar 

  12. A. A. Granovsky, http://classic.chem.msu.su/gran/gamess.

  13. I. L. Ettinger, Outbursts of Coal and Gas and the Structure of Coal (Nedra, Moscow, 1969) [in Russian].

    Google Scholar 

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Authors and Affiliations

  1. Tugan-Baranovskii Donetsk National University of Economics and Trade, Donetsk, 83050, Ukraine

    A. F. Dmitruk

  2. Litvinenko Institute of Physical Organic Chemistry and Coal Chemistry, National Academy of Sciences of Ukraine, Donetsk, 83114, Ukraine

    O. M. Zarechnaya & I. A. Opeida

Authors
  1. A. F. Dmitruk
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  2. O. M. Zarechnaya
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  3. I. A. Opeida
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Corresponding author

Correspondence to A. F. Dmitruk.

Additional information

Original Russian Text © A.F. Dmitruk, O.M. Zarechnaya, I.A. Opeida, 2012, published in Zhurnal Fizicheskoi Khimii, 2012, Vol. 86, No. 7, pp. 1200–1203.

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Dmitruk, A.F., Zarechnaya, O.M. & Opeida, I.A. Quantum-chemical investigation of methane intercalation into the interplane space of graphite-like systems. Russ. J. Phys. Chem. 86, 1084–1087 (2012). https://doi.org/10.1134/S0036024412070060

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  • DOI: https://doi.org/10.1134/S0036024412070060

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