Optical determination of the single-ion zero-field splitting in large spin clusters

David Collison, Vasily S. Oganesyan, Stergios Piligkos, Andrew J. Thomson, Richard E. P. Winpenny, Eric J. L. McInnes

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The dodecametallic Cr(III) cluster has an S = 6 ground state with an axial zero-field splitting (ZFS) of DS=6 = +0.088 cm-1. Analysis of high-resolution optical data (MCD) allows us to determine the single-ion ZFS of the constituent Cr(III) ions directly (D = -1.035 cm-1). A vector coupling analysis demonstrates that the cluster ZFS is almost entirely single-ion in origin. Thus, the relative orientations of the local and cluster magnetic axes can lead to cluster ZFS of opposite sign to the single-ion even when this is the only significant contribution.

Original languageEnglish
Pages (from-to)1168-1169
Number of pages2
JournalJournal of the American Chemical Society
Issue number5
Early online date11 Jan 2003
Publication statusPublished - 5 Feb 2003

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