IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v4y2013i1d10.1038_ncomms3551.html
   My bibliography  Save this article

An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes

Author

Listed:
  • Nicholas F. Chilton

    (School of Chemistry and Photon Science Institute, The University of Manchester)

  • David Collison

    (School of Chemistry and Photon Science Institute, The University of Manchester)

  • Eric J. L. McInnes

    (School of Chemistry and Photon Science Institute, The University of Manchester)

  • Richard E. P. Winpenny

    (School of Chemistry and Photon Science Institute, The University of Manchester)

  • Alessandro Soncini

    (School of Chemistry, University of Melbourne)

Abstract

Understanding the anisotropic electronic structure of lanthanide complexes is important in areas as diverse as magnetic resonance imaging, luminescent cell labelling and quantum computing. Here we present an intuitive strategy based on a simple electrostatic method, capable of predicting the magnetic anisotropy of dysprosium(III) complexes, even in low symmetry. The strategy relies only on knowing the X-ray structure of the complex and the well-established observation that, in the absence of high symmetry, the ground state of dysprosium(III) is a doublet quantized along the anisotropy axis with an angular momentum quantum number mJ=±15/2. The magnetic anisotropy axis of 14 low-symmetry monometallic dysprosium(III) complexes computed via high-level ab initio calculations are very well reproduced by our electrostatic model. Furthermore, we show that the magnetic anisotropy is equally well predicted in a selection of low-symmetry polymetallic complexes.

Suggested Citation

  • Nicholas F. Chilton & David Collison & Eric J. L. McInnes & Richard E. P. Winpenny & Alessandro Soncini, 2013. "An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes," Nature Communications, Nature, vol. 4(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms3551
    DOI: 10.1038/ncomms3551
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/ncomms3551
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/ncomms3551?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms3551. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.