Skip to main content
SpringerLink
Log in

Bimetallic coordination compounds with 5,6-bis(salicylideneimino)-1,10-phenanthroline: quantum chemical study of spin transitions

  • Full Article
  • Published:
Russian Chemical Bulletin Aims and scope

Abstract

A quantum chemical study of the structure, energy, and magnetic characteristics of di nuclear heterometallic complexes constructed via coordination of 5,6-bis(salicylideneimino)-1,10-phenanthroline to the cobalt(II) or copper(II) ions (by the azomethine moiety) and to the iron(II) ion (by the phenanthroline moiety) is carried out using the density functional theory at the DFT UTPSSh/6-311++G(d,p) level. It was shown that all the considered compounds can exhibit thermally-controlled spin-crossover at the iron center. Coordination of the pyridine molecule the cobalt ion induces spin transitions. The predicted magnetic properties of the studied systems suggest that they can be used as prototypes for the design of molecular electronic devices.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. V. I. Minkin, A. G. Starikov, Russ. Chem. Bull., 2015, 64, 475.

    Article  CAS  Google Scholar 

  2. Spin-Crossover Materials: Properties and Applications, Ed. M. A. Halcrow, John Wiley and Sons, Chichester, 2013, 564 pp.

    Google Scholar 

  3. V. I. Minkin, Russ. Chem. Bull., 2008, 57, 687.

    Article  CAS  Google Scholar 

  4. K. Senthil Kumar, M. Ruben, Coord. Chem. Rev., 2017, 346, 176.

    Article  CAS  Google Scholar 

  5. G. Aromi, P. Gamez, O. Roubeau, in Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, Eds M. Swart, M. Costas, John Wiley and Sons, New York, 2016, p. 263–296.

  6. A. Hauser, C. Enachescu, M. L. Daku, A. Vargas, N. Amstutz, Coord. Chem. Rev., 2006, 250, 1642.

    Article  CAS  Google Scholar 

  7. A. Hauser, Coord. Chem. Rev., 1991, 111, 275.

    Article  CAS  Google Scholar 

  8. W. A. Baker, Jr., H. M. Bobonich, Inorg. Chem., 1964, 3, 1184.

    Article  CAS  Google Scholar 

  9. M. A. Halcrow, Polyhedron, 2007, 26, 3523.

    Article  CAS  Google Scholar 

  10. K. S. Murray, R. M. Sheahan, J. Chem. Soc., Dalton Trans., 1976, 11, 999.

    Article  Google Scholar 

  11. B. J. Kennedy, G. D. Fallon, B. M. K. C. Gatehouse, K. S. Murray, Inorg. Chem., 1984, 23, 580.

    Article  CAS  Google Scholar 

  12. E. Koenig, G. Ritter, J. Dengler, P. Thuery, J. Zarembowitch, Inorg. Chem., 1989, 28, 1757.

    Article  CAS  Google Scholar 

  13. K. S. Min, J. Arthur, W. W. Shum, M. Bharathy, H.-C. zur Loye, J. S. Miller, Inorg. Chem., 2009, 48, 4593.

    Article  CAS  PubMed  Google Scholar 

  14. I. Krivokapic, M. Zerara, M. L. Daku, A. Vargas, C. Enachescu, C. Ambrus, P. Tregenna-Piggott, N. Amstutz, E. Krausz, A. Hauser, Coord. Chem. Rev., 2007, 251, 364.

    Article  CAS  Google Scholar 

  15. Y. Z. Voloshin, O. A. Varzatskii, V. V. Novikov, N. G. Strizhakova, I. I. Vorontsov, A. V. Vologzhanina, K. A. Lyssenko, G. V. Romanenko, M. V. Fedin, V. I. Ovcharenko, Y. N. Bubnov, Eur. J. Inorg. Chem., 2010, 5401.

    Google Scholar 

  16. A. V. Vologzhanina, A. S. Belov, V. V. Novikov, A. V. Dolganov, G. V. Romanenko, V. I. Ovcharenko, A. A. Korlyukov, M. I. Buzin, Y. Z. Voloshin, Inorg. Chem., 2015, 54, 5827.

    Article  CAS  PubMed  Google Scholar 

  17. R. Clérac, F. A. Cotton, K. R. Dunbar, T. Lu, C. A. Murillo, X. Wang, J. Am. Chem. Soc., 2000, 122, 2272.

    Article  CAS  Google Scholar 

  18. M. Nihei, M. Ui, M. Yokota, L. Han, A. Maeda, H. Kishida, H. Okamoto, H. Oshio, Angew. Chem., Int. Ed., 2005, 44, 6484.

    Article  CAS  Google Scholar 

  19. A. Bousseksou, G. Molnár, J. A. Real, K. Tanaka, Coord. Chem. Rev., 2007, 251, 1822.

    Article  CAS  Google Scholar 

  20. V. I. Minkin, A. A. Starikova, A. G. Starikov, Dalton Trans., 2016, 45, 12103.

    Article  CAS  PubMed  Google Scholar 

  21. A. A. Starikova, A. G. Starikov, V. I. Minkin, Russ. J. Coord. Chem., 2017, 43, 718.

    Article  CAS  Google Scholar 

  22. A. A. Starikova, Chem. Pap., 2018, 72, 821.

    Article  CAS  Google Scholar 

  23. N. Komatsuzaki, Y. Himeda, M. Goto, K. Kasuga, H. Sugihara, H. Arakawa, Chem. Lett., 1999, 28, 327.

    Article  Google Scholar 

  24. J. A. Real, M. C. Muñoz, J. Faus, X. Solans, Inorg. Chem., 1997, 36, 3008.

    Article  CAS  PubMed  Google Scholar 

  25. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian 09 (Revision E.01), Gaussian, Inc., Wallingford (CT), 2013.

    Google Scholar 

  26. J. M. Tao, J. P. Perdew, V. N. Staroverov, G. E. Scuseria, Phys. Rev. Lett., 2003, 91, 146401.

    Article  CAS  Google Scholar 

  27. V. N. Staroverov, G. E. Scuseria, J. Tao, J. P. Perdew, J. Chem. Phys., 2003, 119, 12129.

    Article  CAS  Google Scholar 

  28. A. G. Starikov, A. A. Starikova, V. I. Minkin, Dokl. Chem., 2016, 467, 83.

    Article  CAS  Google Scholar 

  29. A. A. Starikova, M. G. Chegerev, A. G. Starikov, V. I. Minkin, Comp. Theor. Chem., 2018, 1124, 15.

    Article  CAS  Google Scholar 

  30. A. Bannwarth, S.O. Schmidt, G. Peters, F. D. Sonnichsen, W. Thimm, R. Herges, F. Tuczek, Eur. J. Inorg. Chem., 2012, 2776.

    Google Scholar 

  31. L. Noodleman, J. Chem. Phys., 1981, 74, 5737.

    Article  CAS  Google Scholar 

  32. Y. Kitagawa, T. Saito, Y. Nakanishi, Y. Kataoka, T. Matsui, T. Kawakami, M. Okumura, K. Yamaguchi, J. Phys. Chem. A., 2009, 113, 15041.

    Article  CAS  PubMed  Google Scholar 

  33. Chemcraft, Version 1.7, 2013; http://www.chemcraftprog.com.

  34. T. Bally, Nat. Chem., 2010, 2, 165.

    Article  CAS  PubMed  Google Scholar 

  35. A. A. Starikova, A. G. Starikov, V. I. Minkin, Russ. Chem. Bull., 2016, 65, 1464.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 prosp. Stachki, 344090, Rostov-on-Don, Russian Federation

    A. G. Starikov, A. A. Starikova, M. G. Chegerev & V. I. Minkin

Authors
  1. A. G. Starikov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A. A. Starikova
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. M. G. Chegerev
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. V. I. Minkin
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. G. Starikov.

Additional information

Based on the materials of the Russian National Cluster of Conferences on Inorganic Chemistry “InorgChem 2018” (September 17–21, 2018, Astrakhan, Russia).

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 0725–0731, April, 2019.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Starikov, A.G., Starikova, A.A., Chegerev, M.G. et al. Bimetallic coordination compounds with 5,6-bis(salicylideneimino)-1,10-phenanthroline: quantum chemical study of spin transitions. Russ Chem Bull 68, 725–731 (2019). https://doi.org/10.1007/s11172-019-2479-2

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11172-019-2479-2

Key words

Search

Navigation