Magnetic and optical studies on an S=6 ground-state cluster [Cr12O9(OH)3(O2CCMe3)15]: Determination of, and the relationship between, single-ion and cluster spin Hamiltonian parameters

D Collison, M Murrie, VS Oganesyan, S Piligos, NRJ Poolton, G Rajamaran, Graham Murray Smith, AJ Thomson, GA Timko, W Wernsdorfer, REP Winpenny, EJL McInnes

Research output: Other contribution

47 Citations (Scopus)

Abstract

The dodecametallic Cr(III) cluster [Cr12O9(OH)(3)(O2CCMe3)(15)] has a ground spin state of S = 6 characterized by the spin Hamiltonian parameters g(ZZ) = 1.965, g(XX) = g(YY) = 1.960, D-S=6 = +0.088 cm(-1), and E-S=6 = 0 (where D and E are the axial and rhombic zero-field splitting parameters, respectively) as determined by multifrequency EPR spectroscopy and magnetization studies. Micro-SQUID magnetization studies reveal steps due to the fine structure of the ground state, with the spacing between the steps in excellent agreement with the D-S=6 value determined by EPR. Analysis of high-resolution optical data (MCD) allows us to determine the single-ion g values and D value (= -1.035 cm(-1)) of the constituent Cr(III) ions directly. A vector coupling analysis demonstrates that the cluster ZFS is almost entirely due to the single-ion component. Thus, the relative orientations of the local and cluster magnetic axes can lead to a cluster ZFS of opposite sign to the single-ion value, even when this is the only significant contribution.

Original languageEnglish
Volume42
DOIs
Publication statusPublished - 25 Aug 2003

Keywords

  • ELECTRON-PARAMAGNETIC-RESONANCE
  • FREQUENCY EPR-SPECTRA
  • JAHN-TELLER ISOMERISM
  • ZERO-FIELD SPLITTINGS
  • MOLECULE MAGNETS
  • CHROMIUM(III) COMPLEXES
  • FROZEN SOLUTIONS
  • CRYSTAL
  • ORIGIN
  • TRANSITIONS

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