Russian Journal of General Chemistry

, Volume 87, Issue 1, pp 98–106 | Cite as

Quantum chemical study of the adducts of azomethine cobalt complexes with acenaphthene-1,2-diimines

Article
  • 33 Downloads

Abstract

Adducts based on the cobalt azomethine bis-chelates and acenaphthene-1,2-diimines have been studied using the density functional theory method [DFT B3LYP*/6-311++G(d,p)]. It has been shown that the stability of the formed complexes with respect to dissociation and the ability to demonstrate valence tautomeric properties can be controlled by functionalization of the ligands. Compounds have been revealed whose magnetic properties vary due to intramolecular redox process.

Keywords

quantum chemical calculations valence tautomerism acenaphthene-1,2-diimine cobalt bis-chelates density functional theory 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Buchanan, R.M. and Pierpont, C.G., J. Am. Chem. Soc., 1980, vol. 102, no. 15, p. 4951. doi 10.1021/ja00535a021CrossRefGoogle Scholar
  2. 2.
    Bally, T., Nat. Chem., 2010, vol. 2, p. 165. doi 10.1038/nchem.564CrossRefGoogle Scholar
  3. 3.
    Kahn, O. and Jay Martinez, C., Science, 1998, vol. 279, no. 5347, p. 44. doi 10.1126/science.279.5347.44CrossRefGoogle Scholar
  4. 4.
    Magnetism: Molecules to Materials, Miller, J.S. and Drillon, M., Eds., Weinheim, Wiley-VCH Verlag GmbH, 2002.Google Scholar
  5. 5.
    Spin-Crossover Materials: Properties and Applications, Halcrow, M.A., Ed., New York Wiley, 2013.Google Scholar
  6. 6.
    Demir, S., Jeon, I.-R., Long, J.R., and Harris, T.D., Coord. Chem. Rev., 2015, vols. 289–290, p. 149. doi 10.1016/j.ccr.2014.10.012Google Scholar
  7. 7.
    Pierpont, C.G., Coord. Chem. Rev., 2001, vols. 216–217, p. 99. doi 10.1016/S0010-8545(01)00309-5CrossRefGoogle Scholar
  8. 8.
    Hendrickson, D.N. and Pierpont, C.G., Top. Curr. Chem., 2004, vol. 234, p. 63.CrossRefGoogle Scholar
  9. 9.
    Evangelio, E. and Ruiz-Molina, D., C. R. Chim., 2008, vol. 11, no. 10, p. 1137. doi 10.1016/j.crci.2008.09.007.CrossRefGoogle Scholar
  10. 10.
    Tezgerevska, T., Alley, K.G., and Boskovic, C., Coord. Chem. Rev., 2014, vol. 268, p. 23. doi 10.1016/j.ccr.2014.01.014CrossRefGoogle Scholar
  11. 11.
    Hill, N.J., Vargas-Baca, I., and Cowley, A.H., Dalton Trans., 2009, p. 240. doi 10.1039/B815079FGoogle Scholar
  12. 12.
    Fedushkin, I.L., Maslova, O.V., Baranov, E.V., and Shavyrin, A.S., Inorg. Chem., 2009, vol. 48, no. 6, p. 2355. doi 10.1021/ic900022sCrossRefGoogle Scholar
  13. 13.
    Fedushkin, I., Maslova, O., Morozov, A., Dechert, S., Demeshko, S., and Meyer, F., Angew. Chem. Int. Ed., 2012, vol. 51, no. 42, p. 10584. doi 10.1002/anie.201204452CrossRefGoogle Scholar
  14. 14.
    Schelter, E.J., Wu, R., Scott, B.L., Thompson, J.D., Cantat, T., John, K.D., Batista, E.R., Morris, D.E., and Kiplinger, J.L., Inorg. Chem., 2010, vol. 49, no. 3, p. 924. doi 10.1021/ic901636fCrossRefGoogle Scholar
  15. 15.
    Ivakhnenko, E.P., Koshchienko, Yu.V., Knyasev, P.A., Korobov, M.S., Chernyshev, A.V., Lysenko, K.A., and Minkin, V.I., Doklady Chem., 2011, vol. 438, no. 2, p. 155. doi 10.1134/S0012500811060024CrossRefGoogle Scholar
  16. 16.
    Starikov, A.G., Minyaev, R.M., Starikova, A.A., and Minkin, V.I., Doklady Chem., 2011, vol. 440, no. 2, p. 289. doi 10.1134/S0012500811100089CrossRefGoogle Scholar
  17. 17.
    Minkin, V.I., Starikova, A.A., and Minyaev, R.M., Dalton Trans., 2013, vol. 42, no. 5, p. 1726. doi 10.1039/C2DT31567JCrossRefGoogle Scholar
  18. 18.
    Starikova, A.A., Minkin, V.I., and Starikov, A.G., Mendeleev Commun., 2014, vol. 24, no. 6. ?. 329. doi 10.1016/j.mencom.2014.11.003CrossRefGoogle Scholar
  19. 19.
    Starikova, A.A., Minyaev, R.M., and Minkin, V.I., Russ. Chem. Bull., 2014, vol. 63, no. 4, p. 812. doi 10.1007/s11172-014-0514-xCrossRefGoogle Scholar
  20. 20.
    Minkin, V.I. and Starikova, A.A., Mendeleev Commun., 2015, vol. 25, no. 2, p. 83. doi 10.1016/j.mencom.2015.03.002CrossRefGoogle Scholar
  21. 21.
    Starikov, A.G., Starikova, A.A., and Minkin, V.I., Russ. J. Gen. Chem., 2016, vol. 86, no. 4, p. 859. doi 10.1134/S1070363216040174CrossRefGoogle Scholar
  22. 22.
    Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Peralta, J.E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V.N., Keith, T., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Rega, N., Millam, J.M., Klene, M., Knox, J.E., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., and Fox, D.J., Gaussian 09, Revision D.01, Gaussian, Inc., Wallingford CT,2013.Google Scholar
  23. 23.
    Antipin, Yu.M., Ivakhnenko, E.P., Koshchienko, Yu.V., Knyazev, P.A., Korobov, M.S., Chernyshev, A.V., Lyssenko, K.A., Starikov, A.G., and Minkin, V.I., Russ. Chem. Bull., 2013, vol. 62, no. 8, p. 1744. doi 10.1007/s11172-013-0251-6CrossRefGoogle Scholar
  24. 24.
    Chemcraft, version 1.7, 2013. http://www.chemcraftprog.com.Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • A. G. Starikov
    • 1
    • 2
  • A. A. Starikova
    • 2
  • V. I. Minkin
    • 1
    • 2
  1. 1.Southern Scientific Center of Russian Academy of SciencesRostov-on-DonRussia
  2. 2.Institute of Physical and Organic ChemistrySouthern Federal UniversityRostov-on-DonRussia

Personalised recommendations