Skip to main content
SpringerLink
Log in

Electron Localization versus Delocalization and Ferromagnetic Coupling in Mixed Valence Polyoxometalates

  • Regular Issue
  • Published:
Theoretical Chemistry Accounts Aims and scope Submit manuscript

Abstract

We show that the ferromagnetism, recently found in the doubly-reduced hexanuclear polyoxometalate [V6O12 (μ2−OCH3)4(L)4] does not contradict to the proposed earlier delocalization mechanism of the stabilization of a spin- singlet state. The ground state triplet state yields from the internal and/or external complex asymmetry leading to the spin density localization.

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. Pope MT, Müller A (eds) (1994). Polyoxometalates: from platonic solids to anti-retroviral activity. Kluwer, Dordrecht

    Google Scholar 

  2. Pope MT, Müller A (eds) (2001). Polyoxometalate chemistry: from topology via self-assembly to applications. Kluwer, Dordrecht

    Google Scholar 

  3. Borras-Almenar JJ, Coronado E, Müller A, Pope MT (eds) (2003). Polyoxometalate molecular science. Kluwer, Dordrecht

    Google Scholar 

  4. Kozik M, Casañ-Pastor N, Hammer CF, Baker LCW (1988). J Am Chem Soc 110:7697

    Article  CAS  Google Scholar 

  5. Acerete R, Casañ-Pastor N, Bas-Serra J, Baker LCW (1989). J Amer Chem Soc 111:6049

    Article  CAS  Google Scholar 

  6. Casañ-Pastor N, Bas-Serra J, Coronado E, Pourroy G, Baker LCW (1991). J Am Chem Soc 113:5658

    Article  Google Scholar 

  7. Casañ-Pastor N, Baker LCW (1992). J Am Chem Soc 114:10384

    Article  Google Scholar 

  8. Kirby JF, Baker, LCW (1995). J Amer Chem Soc 117:10010

    Article  CAS  Google Scholar 

  9. Borshch SA, Bigot B (1993). Chem Phys Lett 212:398

    Article  CAS  Google Scholar 

  10. Borshch SA (1998). Inorg Chem 37:3116

    Article  CAS  Google Scholar 

  11. Borras-Almenar JJ, Clemente JM, Coronado E, Tsukerblat BS (1995). Chem Phys 195:1

    Article  CAS  Google Scholar 

  12. Borras-Almenar JJ, Clemente JM, Coronado E, Tsukerblat BS (1995). Chem Phys 195:17

    Article  CAS  Google Scholar 

  13. Suaud N, Gaita-Ariño A, Clemente-Juan JM, Sanchez-Marin J, Coronado E (2002). J Amer Chem Soc 124:15134

    Article  CAS  Google Scholar 

  14. Suaud N, Gaita-Ariño A, Clemente-Juan JM, Coronado E (2004). Chem Eur J 10:4041

    Article  CAS  Google Scholar 

  15. Duclusaud H, Borshch SA (2001). J Amer Chem Soc 123:2825

    Article  CAS  Google Scholar 

  16. Manos MJ, Tasiopoulos AJ, Tolis EJ, Lalioti N, Woolins JD, Slawin AMZ, Sigalas MP, Kabanos TA (2003). Chem Eur J 9:695

    Article  CAS  Google Scholar 

  17. Girerd JJ, Launay JP (1983). Chem Phys 74:217

    Article  CAS  Google Scholar 

  18. Bersuker IB, Borshch SA (1992). In: Prigogine I, Rice SA (eds). Advances in Chemical Physics, vol. 81. Wiley, Chichester, p 703

  19. Fonseca Guerra C, Snijders JG, te Velde G, Baerends EJ (1998). Theor Chem Acc 99:391

    Google Scholar 

  20. ADF2000.02, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com

  21. Vosko SH, Wilk L, Nusair M (1980). Can J Phys 58:1200

    Article  CAS  Google Scholar 

  22. Becke AD (1986). J Chem Phys 84:4524

    Article  CAS  Google Scholar 

  23. Perdew JP (1986). Phys Rev B 33:8822

    Article  Google Scholar 

  24. Nodleman L, Norman JG Jr (1979). J Chem Phys 70:4903

    Article  Google Scholar 

  25. Noodleman L (1981). J Chem Phys 74:5737

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Laboratoire de Chimie, UMR 5182 CNRS – Ecole Normale Supèrieure de Lyon, 46 allée d’Italie, 69364, Lyon Cedex 07, France

    Serguei A. Borshch

  2. Department of Inorganic Chemistry, Kazan State Technological University, 68 K. Marx street, 420015, Kazan, Russia

    Ekaterina M. Zueva

Authors
  1. Serguei A. Borshch
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Ekaterina M. Zueva
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Serguei A. Borshch.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Borshch, S.A., Zueva, E.M. Electron Localization versus Delocalization and Ferromagnetic Coupling in Mixed Valence Polyoxometalates. Theor Chem Acc 116, 509–513 (2006). https://doi.org/10.1007/s00214-006-0088-2

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00214-006-0088-2

Keywords

Search

Navigation