Journal of Structural Chemistry

, Volume 59, Issue 7, pp 1507–1517 | Cite as

A Quantum Chemical Study of Germanium-Substituent Bonding in Complex Compounds of Germanium

  • N. V. AlekseevEmail author


Spatial and electronic structures of six-coordinated germanium compounds are calculated within МР2 and AIM methods using PC GAMESS-Firefly, MORPHY, and AIMALL software packages. Main topological characteristics of germanium-substituent bonds are determined in these molecules.


quantum chemistry AIM method 


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  1. 1.
    S. Patai. (Ed.), The Chemistry of Organic Germanium, Tin and Lead Compounds, Vol. 1. NY, Wiley, 1995 Google Scholar
  2. 1a.
    Z. Rappoport and Y. Apeloig (Eds.), The Chemistry of Organic Germanium, Tin and Lead Compounds, Vol. 2. NY, Wiley, 2003.Google Scholar
  3. 2.
    S. Nagendran and H. W. Roesky. Organometallics, 2008, 27, 457–470.CrossRefGoogle Scholar
  4. 3.
    P. G. Harrison. In: G. Wilkinson, R. D. Gillard, and J. A. McCleverty (Eds.), Comprehensive Coordination Chemistry I, vol. 3. NY, Pergamon Press, 1987, 183Google Scholar
  5. 3a.
    J. Parr. In: J. A. McCleverty and T. J. Meyer (Eds.), Comprehensive Coordination Chemistry II, vol. 3. Oxford, Elsevier, 2004,545.Google Scholar
  6. 4.
    I. Saur, S. Garcia Alonso, and J. Barrau. Appl. Organomet. Chem., 2005, 19, 414–441.CrossRefGoogle Scholar
  7. 5.
    N. N. Greenwood and A. Earnshaw. Chemistry of the Elements, 2nd ed. Oxford, Elsevier, 2004.Google Scholar
  8. 6.
    J. Mason. Multinuclear NMR, Plenum, NY, 1987 CrossRefGoogle Scholar
  9. 6a.
    Y. Takeuchi, T. Takayama. Ann. Rep. NMR Spectrosc., 2005, 5, 155–215.Google Scholar
  10. 7.
    W. Levason, G. Reid, and W. Zhanget. Coord. Chem. Rev., 2011, 255, 1319–1341.CrossRefGoogle Scholar
  11. 8.
    E. I. Davydova, T. N. Sevast'yanova, A. Y. Timoshkin, A. V. Suvorov, and G. Frenking. Int. J. Quantum Chem., 2004, 100, 419–426.CrossRefGoogle Scholar
  12. 9.
    I. S. Ignatyev and H. F. Schaefer. J. Phys. Chem. A, 2001, 105, 7665–7671.CrossRefGoogle Scholar
  13. 10.
    V. P. Feshin and E. V. Feshina. Russ. J. Gen. Chem., 2007, 77, 1164–1166CrossRefGoogle Scholar
  14. 10a.
    V. P. Feshin and E. V. Feshina. Russ. J. Gen. Chem., 2008, 27, 230–233.Google Scholar
  15. 11.
    A. Y. Timoshkin, E. I. Davydova, T. N. Sevast'yanova, A. V. Suvorov, and H. F. Schaefer. Int. J. Quantum Chem., 2002, 88, 436–451.CrossRefGoogle Scholar
  16. 12.
    E. I. Davydova, A. Y. Timoshkin, T. N. Sevast'yanova, A. V. Suvarov, and G. Frenking. J. Mol. Struct. THEOCHEM., 2006, 767, 103–117.CrossRefGoogle Scholar
  17. 13.
    A. A. Granovsky. GAMESS Firefly version 7.1.G. Scholar
  18. 14.
    Keith Todd A. AIMAll (Version 12.11.09), TK Gristmill Software. Overland Park KS, USA, 2012.Google Scholar
  19. 15.
    F. W. Biegler-Koning, R. F. Bader, and T. H. Tang. J. Comput. Chem., 1982, 3, 317–321.CrossRefGoogle Scholar
  20. 16.
    P. L. A. Popelier. MORPHY 98: A Topological Analysis Program, UMIST, England, EU, 1998.Google Scholar
  21. 17.
    Hung-Cheh Chiang, Mei-Huey Wang, and Chuen-Her Ueng. Acta Crystalogr., Sect. C: Cryst. Struct. Commun., 1993, 49, 244–346.CrossRefGoogle Scholar
  22. 18.
    N. W. Mitzel, U. Losehand, and K. Vojinovic. Inorg. Chem., 2001, 40, 5302–5307.CrossRefGoogle Scholar
  23. 19.
    M. Hargittai. Chem. Rev., 2000, 100, 2233–2301.CrossRefGoogle Scholar
  24. 20.
    R. Blom and A. Haaland. J. Mol. Struct., 1985, 128, 21–27.CrossRefGoogle Scholar
  25. 21.
    Cambridge Structural Database, release 2017; Mogul v 1.7.3 CSD System Molecular Geometry Library. The Cambridge Crystallographic Data Centre, 2017.Google Scholar
  26. 22.
    R. Bader. Atoms in Molecules: A Quantum Theory, Clarendon Press, 1994.Google Scholar
  27. 23.
    E. Espinosa, E. Molins, and C. Lecomte. Chem. Phys. Lett., 1998, 285, 170–173.CrossRefGoogle Scholar
  28. 24.
    E. Espinosa, I. Alkorta, J. Elguero, and E. Molins. J. Chem. Phys., 2002, 117, 5529–5532.CrossRefGoogle Scholar
  29. 25.
    Nakanishi Waro, Hayashi Satoko, and Narahara Kenji. J. Phys. Chem. A, 2009, 113, 10050–10057.Google Scholar
  30. 26.
    A. Spackman Mark. Chem. Phys. Lett., 1999, 301, 425–429.CrossRefGoogle Scholar
  31. 27.
    A. A. Korlyukov, N. V. Alekseev, M. Yu. Antipin, et al. J. Mol. Struct., 2008, 875, 135–142.CrossRefGoogle Scholar
  32. 28.
    N. V. Alekseev and E. A. Chernyshev. J. Struct. Chem., 2008, 49(5), 828–836.CrossRefGoogle Scholar
  33. 29.
    N. V. Alekseev and E. A. Chernyshev. J. Struct. Chem., 2010, 51(3), 419–427.CrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  1. 1.Nesmeyanov Institute for Chemistry and Technology of Organoelement CompoundsMoscowRussia

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