Journal of Structural Chemistry

, Volume 50, Issue 1, pp 52–59 | Cite as

Structure of the Cu(Salen) molecule Cuo2N2C16H14 according to gas-phase electron diffraction data and quantum chemical calculations

  • N. I. Giricheva
  • G. V. GirichevEmail author
  • N. P. Kuzmina
  • Yu. S. Medvedeva
  • A. Yu. Rogachev


In the framework of synchronous gas-phase electron diffraction and mass spectrometry experiment, the saturated vapor of N,N′-ethylenebis(salicylaldiminate) copper(II) CuO2N2C16H14 is studied at a temperature T 574(5) K. It is found that evaporation is congruent and the saturated vapor consists of monomeric molecules. Electron diffraction data are proved to correspond to the geometric model for the CuO2N2C16H14 molecule of C 2 symmetry with an almost planar structure of the CuN2O2 coordination fragment and internuclear distances \( r_{h_1 } \)(Cu-O) = 1.917(13) Å and \( r_{h_1 } \)(Cu-N) = 1.931(15) Å. The stuctural parameters obtained are compared to those quantum chemically calculated and molecular parameters in crystals.


structure Schiff bases CuO2N2C16H14 Cu(salen) electron diffraction quantum chemical calculations 


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  1. 1.
    G. V. Girichev, N. I. Giricheva, N. P. Kuzmina, et al., J. Struct. Chem., 46, No. 5, 813–823 (2005).CrossRefGoogle Scholar
  2. 2.
    G. V. Girichev, N. I. Giricheva, N. P. Kuzmina, et al., ibid., 49, No. 5, 871–882 (2008).CrossRefGoogle Scholar
  3. 3.
    G. V. Girichev, A. N. Utkin, and Yu. F. Revichev, Prib. Tekhn. éksp., No. 2, 187–190 (1984).Google Scholar
  4. 4.
    G. V. Girichev, S. A. Shlykov, and Yu. F. Revichev, ibid., No. 4, 167–169 (1986).Google Scholar
  5. 5.
    E. G. Girichev, A. V. Zakharov, G. V. Girichev, and M. I. Bazanov, Izv. Vuz. Tekstil. Prom., No. 2, 142–146 (2000).Google Scholar
  6. 6.
    V. A. Sipachev, J. Mol. Struct., 567/568, 67 (2001); V. A. Sipachev, ibid., 121, 143 (1985); V. A. Sipachev, in: Advances in Molecular Structure Research, I. Hargittai and M. Hargittai (eds.), JAI Press, New York, No. 5, 263 (1999).CrossRefGoogle Scholar
  7. 7.
    A. W. Ross, M. Fink, and R. L. Hildebrand, International Tables of Crystallography, C., Kluwer Acad. Publ., Dodrecht (1992), p. 245.Google Scholar
  8. 8.
    M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian-03, Revision B.03, Gaussian, Inc., Pittsburgh PA (2003).Google Scholar
  9. 9.
    D. Becke, J. Chem. Phys., 98, 5648 (1993).CrossRefGoogle Scholar
  10. 10.
    W. Stevens, H. Basch, and J. Kraus, ibid., 81, 6026 (1984); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem., 70, 612 (1992); T. R. Cundari and W. J. Stevens, J. Chem. Phys., 98, 5555 (1993).CrossRefGoogle Scholar
  11. 11.
    F. H. Allen, Acta Crystallogr., B58, 380–388 (2002); J. van de Streek, ibid., B62, 567–579 (2006); A. G. Orpen, ibid., B58, 398–406 (2002); F. H. Allen and W. D. S. Motherwell, ibid., 407–422; R. Taylor, ibid., D58, 879–888; I. J. Bruno, J. C. Cole, P. R. Edgington, et al., ibid., B58, 389–397.Google Scholar
  12. 12.
    A. Bencini, C. Benelli, A. Caneschi, et al., J. Am. Chem. Soc., 107, 8128 (1985).CrossRefGoogle Scholar
  13. 13.
    E. N. Baker, D. Hall, and T. N. Waters, J. Chem. Soc. A, 400 (1970).Google Scholar
  14. 14.
    M. B. Ferrari, G. G. Fava, and C. Pelizzi, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 32, 901 (1976).CrossRefGoogle Scholar
  15. 15.
    E. N. Baker, D. Hall, and T. N. Waters, J. Chem. Soc. A, 406 (1970).Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • N. I. Giricheva
    • 1
  • G. V. Girichev
    • 2
    Email author
  • N. P. Kuzmina
    • 3
  • Yu. S. Medvedeva
    • 1
  • A. Yu. Rogachev
    • 3
  1. 1.Ivanovo State UniversityIvanovoRussia
  2. 2.Ivanovo State University of Chemistry and TechnologyIvanovoRussia
  3. 3.M. V. Lomonosov Moscow State UniversityMoscowRussia

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