Russian Journal of Coordination Chemistry

, Volume 43, Issue 1, pp 37–43

New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane

  • A. N. Gusev
  • V. F. Shul’gin
  • I. N. Shcherbakov
  • K. A. Lysenko
  • V. V. Minin
  • I. L. Eremenko
Article

Abstract

Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H2L), [Cu2(HL)Cl3] · H2O (I) and [Cu(H2L)](ClO4)2 (II), were described. The compounds were characterized by elemental analysis, IR spectroscopy, and magnetochemical data. According to X-ray diffraction data (CIF files CCDC nos. 1497511 (I), 1497512 (II)), complex I is binuclear and the metal cations are bound by the nitrogen atoms of the triazole ring and by the chloride anion. Complex II is mononuclear. Analysis of the temperature dependence of the magnetic susceptibility of I attests to the antiferromagnetic coupling of paramagnetic centers (–2J = 18 cm–1). Exchange channels are analyzed by means of density functional theory (B3LYP/6-311G(d)) using the broken symmetry approach.

Keywords

1,2,4-triazoles copper(II) binuclear complexes X-ray diffraction exchange interaction quantum chemical calculations broken symmetry approach 

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References

  1. 1.
    Haasnoot, J.G., Coord. Chem. Rev., 2000, vols. 200–202, p. 131.CrossRefGoogle Scholar
  2. 2.
    Klingele, M.H. and Brooker, S., Coord. Chem. Rev., 2003, vol. 241, p. 119.CrossRefGoogle Scholar
  3. 3.
    Kitchen, J.A. and Brooker, S., Coord. Chem. Rev., 2008, vol. 252, p. 2072.CrossRefGoogle Scholar
  4. 4.
    Chi, Y. and Chou, P.-T., Chem. Soc. Rev., 2010, vol. 39, p. 638.CrossRefGoogle Scholar
  5. 5.
    Park, H.J., Kim, J.N., Yoo, H.-J., et al., Org. Chem., 2013, vol. 78, p. 8054.CrossRefGoogle Scholar
  6. 6.
    Roat-Malone R.M., Bioinorganic Chemistry: A Short Course, New Jersey Wiley, 2002.CrossRefGoogle Scholar
  7. 7.
    Desbouis, D., Troitsky, I.P., Belousoff, M.J., et al., Coord. Chem. Rev., 2012, vol. 256, nos. 11–12, p. 897.CrossRefGoogle Scholar
  8. 8.
    Pauleta, S.R., Dell’Acqua, S., and Moura, I., Coord. Chem. Rev., 2013, vol. 257, no. 2, p. 332.CrossRefGoogle Scholar
  9. 9.
    Ouellette, W., Galan-Mascaros, J.R., Dunbar, K.R., et al., Inorg. Chem., 2006, vol. 45, no. 5, p. 1909.CrossRefGoogle Scholar
  10. 10.
    Ouellette, W., Prosvirin, A.V., Chieffo, V., et al., Inorg. Chem., 2006, vol. 45, no. 23, p. 9346.CrossRefGoogle Scholar
  11. 11.
    Mann, K.L.V., Jeffery, J.C., McCleverty, J.A., et al., Dalton Trans., 1998, p. 89.Google Scholar
  12. 12.
    Gusev, A.N., Shul’gin, V.F., Beyjyyev, E., et al., Polyhedron, 2015, vol. 85, p. 525.CrossRefGoogle Scholar
  13. 13.
    Gusev, A.N., Nemec, I., Herchel, R., et al., Dalton Trans., 2014, vol. 43, p. 7153.CrossRefGoogle Scholar
  14. 14.
    Rakitin, Yu.V. and Kalinnikov, V.T., Sovremennaya magnetokhimiya (Modern Magnetochemistry), St. Petersburg Nauka, 1994.Google Scholar
  15. 15.
    SMART (control) and SAINT (integration) Sofware. Version 5.0, Madison: Bruker AXS Inc., 1997.Google Scholar
  16. 16.
    Sheldrick G.M., SHELXL-97. Program for the Refinement of Crystal Structures, Göttingen Univ. of Göttingen, 1997Google Scholar
  17. 17.
    Becke, A.D., J. Chem. Phys., 1993, vol. 98, no. 7, p. 5648.CrossRefGoogle Scholar
  18. 18.
    Becke, A.D., Phys. Rev. A: At., Mol., Opt. Phys., 1988, vol. 38, no. 6, p. 3098.CrossRefGoogle Scholar
  19. 19.
    Lee, C., Yang, W., and Parr, R.G., Phys. Rev. B: Condens. Matter. Mater. Phys., 1988, vol. 37, no. 2, p. 785.CrossRefGoogle Scholar
  20. 20.
    Shcherbakov, I.N., Levchenkov, S.I., Tupolova, Y.P., et al., Eur. J. Inorg. Chem., 2013, vol. 2013, no. 28, p. 5033.Google Scholar
  21. 21.
    Levchenkov, S.I., Shcherbakov, I.N., Popov, L.D., et al., Inorg. Chim. Acta, 2013, vol. 405, p. 169.CrossRefGoogle Scholar
  22. 22.
    Ginsberg, A.P., J. Am. Chem. Soc., 1980, vol. 102, no. 1, p. 111.CrossRefGoogle Scholar
  23. 23.
    Yamaguchi, K., Takahara, Y., and Fueno, T., Applied Quantum Chemistry, Dordrecht D. Reidel, 1986.Google Scholar
  24. 24.
    Noodleman, L., Peng, C.Y., Case, D.A., et al., Coord. Chem. Rev., 1995, vol. 144, p. 199.CrossRefGoogle Scholar
  25. 25.
    Ruiz, E., Cano, J., Alvarez, S., and Alemany, P., J. Comput. Chem., 1999, vol. 20, no. 13, p. 1391.CrossRefGoogle Scholar
  26. 26.
    Frisch, M.J., Trucks, G.W., Schlegel, H.B., et al., Gaussian 03. Revision E.1, 2003.Google Scholar
  27. 27.
    Ward, D., Chem. Commun., 2009, p. 4487.Google Scholar
  28. 28.
    Hall, B.R., Manck, L.E., Tidmarsh, I.S., et al., Dalton Trans., 2011, vol. 40, p. 12132.CrossRefGoogle Scholar
  29. 29.
    Stephenson, A., Argent, S.P., Riis-Johannessen, T., et al., J. Am. Chem. Soc., 2011, vol. 133, p. 858.CrossRefGoogle Scholar
  30. 30.
    Fenton, H., Tidmarsh, I.S., and Ward, M.D., Dalton Trans., 2009, p. 4199.Google Scholar
  31. 31.
    Argent, S.P., Adams, H., Harding, L.P., et al., New J. Chem., 2005, vol. 29, p. 904.CrossRefGoogle Scholar
  32. 32.
    Addison, A.W., Rao, T.N., Reedijk, J., et al., Dalton Trans., 1984, p. 1349.Google Scholar
  33. 33.
    Kogan, V.A., Lukov, V.V., and Shcherbakov, I.N., Russ. J. Coord. Chem., 2010, vol. 36, no. 6, p. 401.CrossRefGoogle Scholar
  34. 34.
    Popov, L.D., Shcherbakov, I.N., Levchenkov, S.I., et al., Russ. J. Coord. Chem., 2011, vol. 37, no. 7, p. 483.CrossRefGoogle Scholar
  35. 35.
    Kogan, V.A., Levchenkov, S.I., Popov, L.D., et al., Ross. Khim. Zh., 2009, vol. 53, no. 1, p. 86.Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • A. N. Gusev
    • 1
  • V. F. Shul’gin
    • 1
  • I. N. Shcherbakov
    • 2
  • K. A. Lysenko
    • 3
  • V. V. Minin
    • 4
  • I. L. Eremenko
    • 4
  1. 1.Vernadsky Crimean Federal UniversitySimferopolRussia
  2. 2.Southern Federal UniversityRostov-on-DonRussia
  3. 3.Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussia
  4. 4.Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia

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