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Article

The Jahn−Teller Effect in Cu(II) Doped MgO

Supporting Info

Andrew Dick^†, Elmars R. Krausz^‡, Kieran S. Hadler^†, Christopher J. Noble^§, Phillip L. W. Tregenna-Piggott and Mark J. Riley*^†

School of Molecular and Microbial Sciences and Centre for Magnetic Resonance, University of Queensland, St. Lucia, QLD, 4072, Australia, Research School of Chemistry, Australian National University, Canberra, 0200, Australia, and Laboratory for Neutron Scattering, ETH Z

rich and Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland

J. Phys. Chem. C, 2008, 112 (37), pp 14555–14562

DOI: 10.1021/jp803722s

Publication Date (Web): August 20, 2008

†

School of Molecular and Microbial Sciences and Centre for Magnetic Resonance, University of Queensland.

‡

Australian National University.

Centre for Magnetic Resonance, University of Queensland.

ETH Zrich and Paul Scherrer Institut.

* Address correspondence to this author.

Abstract

The Cu(II) doped MgO system is known to display features indicating behavior intermediate between static and dynamic Jahn−Teller effects at low temperature. The system is interesting as there is a low barrier between equivalent Jahn−Teller distortions in the cubic host lattice. In order to study the geometry of the Cu(II) ion in this system, we have recorded the low temperature magnetic circular dichroism (MCD) and X-ray absorption fine structure (XAFS) spectra. The spectra have been interpreted in terms of the Cu(II) centers distorting the host lattice such that the CuO₆ center is a tetragonally elongated octahedron.

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