Skip to main content
SpringerLink
Log in

Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry

  • Published:
Applied Magnetic Resonance Aims and scope Submit manuscript

Abstract

This micro-review is devoted to the studies of the electronic structure, especially the zero-field splitting, of mononuclear Mn(II) complexes by electron paramagnetic resonance spectroscopy and quantum chemistry.

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

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Scheme 1

Similar content being viewed by others

References

  1. J.R. Pilbrow, in Transition Ion Paramagnetic Resonance (Clarendon Press, Oxford, 1990)

  2. F.E. Mabbs, D. Collison, in Electron Paramagnetic Resonance of d Transition Metal Compounds, chap. 12 (Elsevier, Amsterdam, 1992)

  3. R.M. Wood, D.M. Stucker, L.M. Jones, W.B. Lynch, S.K. Misra, J.H. Freed, Inorg. Chem. 38, 5384–5388 (1999)

    Article  Google Scholar 

  4. C. Pichon, P. Mialane, E. Rivière, G. Blain, A. Dolbecq, J. Marrot, F. Sécheresse, C. Duboc, Inorg. Chem. 46, 7710–7712 (2007)

    Article  Google Scholar 

  5. C. Mantel, C. Baffert, I. Romero, A. Deronzier, J. Pécaut, M.N. Collomb, C. Duboc, Inorg. Chem. 43, 6455–6463 (2004)

    Article  Google Scholar 

  6. J. Glerup, P.A. Goodson, D.J. Hodgson, K. Michelsen, K.M. Nielsen, H. Weihe, Inorg. Chem. 31, 4611–4616 (1992)

    Article  Google Scholar 

  7. C. Duboc, M.N. Collomb, J. Pécaut, A. Deronzier, F. Neese, Chem. Eur. J. 14, 6498–6509 (2008)

    Article  Google Scholar 

  8. C. Duboc, T. Phoeung, D. Jouvenot, A.G. Blackman, L.F. McClintock, J. Pécaut, A. Deronzier, M.N. Collomb, Polyhedron 26, 5243–5249 (2007)

    Article  Google Scholar 

  9. J. Gätjens, M. Sjödin, V.L. Pecoraro, S. Un, J. Am. Chem. Soc. 129, 13825–13826 (2007)

    Article  Google Scholar 

  10. B.R. McGarvey, J. Phys. Chem. 71, 51–66 (1967)

    Article  Google Scholar 

  11. C. Duboc, T. Phoeung, S. Zein, J. Pécaut, M.N. Collomb, F. Neese, Inorg. Chem. 46, 4905–4916 (2007)

    Article  Google Scholar 

  12. C. Hureau, S. Groni, R. Guillot, G. Blondin, C. Duboc, E. Anxolabéhère-Mallart, Inorg. Chem. 47, 9238–9247 (2008)

    Article  Google Scholar 

  13. J.C. Hempel, J. Chem. Phys. 64, 4307–4313 (1976)

    Article  ADS  Google Scholar 

  14. G.M. Woltermann, J.R. Wasson, Chem. Phys. Lett. 16, 92–97 (1972)

    Article  ADS  Google Scholar 

  15. C. Mantel, C. Philouze, M.N. Collomb, C. Duboc, Eur. J. Inorg. Chem. 3880–3886 (2004)

  16. E.I. Solomon, J. Zhou, F. Neese, E.G. Pavel, Chem. Biol. 4, 795–808 (1997)

    Article  Google Scholar 

  17. F. Neese, J. Am. Chem. Soc. 128, 10213–10222 (2006)

    Article  Google Scholar 

  18. R. Boca, Coord. Chem. Rev. 248, 757–815 (2004)

    Article  Google Scholar 

  19. D. Ganyushin, F. Neese, J. Chem. Phys. 125, 024103 (2006)

    Article  ADS  Google Scholar 

  20. F. Neese, in Calculation of NMR and EPR Parameters, ed. by M.B. M. Kaupp, V.G. Malkin (Wiley-VCH, Heidelberg, 2004)

  21. F. Neese, Coord. Chem. Rev. 253, 526–563 (2009)

    Article  Google Scholar 

  22. F. Neese, J. Chem. Phys. 127, 164112 (2007)

    Article  ADS  Google Scholar 

  23. S. Sinnecker, F. Neese, J. Phys. Chem. A 110, 12267–12275 (2006)

    Article  Google Scholar 

  24. R. Reviakine, A.V. Arbuznikov, J.C. Tremblay, C. Remenyi, O.L. Malkina, V.G. Malkin, M. Kaupp, J. Chem. Phys. 125, 054110 (2006)

    Article  ADS  Google Scholar 

  25. K. Ray, A. Begum, T. Weyhermuller, S. Piligkos, J. van Slageren, F. Neese, K. Wieghardt, J. Am. Chem. Soc. 127, 4403–4415 (2005)

    Article  Google Scholar 

  26. M.R. Pederson, S.N. Khanna, Phys. Rev. B 60, 9566–9572 (1999)

    Article  ADS  Google Scholar 

  27. F. Neese, E.I. Solomon, Inorg. Chem. 37, 6568–6582 (1998)

    Article  Google Scholar 

  28. S. Zein, C. Duboc, W. Lubitz, F. Neese, Inorg. Chem. 47, 134–142 (2008)

    Article  Google Scholar 

  29. S. Zein, F. Neese, J. Phys. Chem. A 112, 7976–7983 (2008)

    Article  Google Scholar 

  30. M. Bühl, C. Reimann, D.A. Pantazis, T. Bredow, F. Neese, J. Chem. Theory Comput. 4, 1449–1459 (2008)

    Article  Google Scholar 

  31. R. Carmieli, P. Manikandan, B. Epel, A.J. Kalb, A. Schnegg, A. Savitsky, K. Möbius, D. Goldfarb, Biochemistry 42, 7863–7870 (2003)

    Article  Google Scholar 

  32. C.J.H. Jacobsen, E. Pedersen, J. Villadsen, H. Weihe, Inorg. Chem. 32, 1216–1221 (1993)

    Article  Google Scholar 

  33. W.B. Lynch, R.S. Boorse, J.H. Freed, J. Am. Chem. Soc. 115, 10909–10915 (1993)

    Article  Google Scholar 

  34. J. Reedijk, F.W. Klaaijsen, H.T. Witteveen, J. Chem. Soc. Perkin Trans. 2 69, 1537–1541 (1973)

    Google Scholar 

  35. C.A. Kosky, J.P. Gayda, J.F. Gibson, S.F. Jones, D.J. Williams, Inorg. Chem. 21, 3173–3179 (1982)

    Article  Google Scholar 

  36. D.M.L. Goodgame, H. El Mkami, G.M. Smith, J.P. Zhao, E.J.L. McInnes, Dalton Trans. 34–35 (2003)

  37. C. Duboc, V. Astier-Perret, H.Y. Chen, J. Pécaut, R.H. Crabtree, G.W. Brudvig, M.N. Collomb, Inorg. Chim. Acta 359, 1541–1548 (2006)

    Article  Google Scholar 

  38. C. Bucher, E. Duval, J.M. Barbe, J.N. Verpeaux, C. Amatore, R. Guilard, L. Le Pape, J.M. Latour, S. Dahaoui, C. Lecomte, Inorg. Chem. 40, 5722–5726 (2001)

    Google Scholar 

  39. R.A. Palmer, M.C.-L. Yang, J.C. Hempel, Inorg. Chem. 17, 1200–1203 (1978)

    Article  Google Scholar 

  40. G.M. Woltermann, J.R. Wasson, J. Phys. Chem. 77, 945–949 (1973)

    Article  Google Scholar 

  41. C.L. Raju, N.O. Gopal, K.V. Narasimhulu, J.L. Rao, B.C.V. Reddy, Spectrochim. Acta A 61, 2181–2187 (2005)

    Article  Google Scholar 

  42. G.M. Woltermann, J.R. Wasson, J. Phys. Chem. 78, 45–49 (1974)

    Article  Google Scholar 

Download references

Acknowledgments

We gratefully thank our students and co-workers, whose names appear in the references cited, and Dr. Marc-Henri Julien for a critical reading of the manuscript. This work was supported by the bilateral France–Germany Hubert Curien Program/DAAD (Procope 2008–2009) and funded by the Agence Nationale pour la Recherche (grant nr. ANR-05-JCJC-0171-01).

Author information

Authors and Affiliations

  1. Département de Chimie Moléculaire, UMR-5250, Institut de Chimie Moléculaire de Grenoble FR-CNRS-2607, Université Joseph Fourier Grenoble 1/CNRS, BP-53, 38041, Grenoble Cedex 9, France

    Carole Duboc & Marie-Noëlle Collomb

  2. Institut für Physikalische und Theoretische Chemie, University of Bonn, Wegelerstrasse 12, 53115, Bonn, Germany

    Frank Neese

Authors
  1. Carole Duboc
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Marie-Noëlle Collomb
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Frank Neese
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Carole Duboc.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Duboc, C., Collomb, MN. & Neese, F. Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry. Appl Magn Reson 37, 229 (2010). https://doi.org/10.1007/s00723-009-0085-4

Download citation

  • Received:

  • Published:

  • DOI: https://doi.org/10.1007/s00723-009-0085-4

Keywords

Search

Navigation