Magnetic anisotropy of the antiferromagnetic ring [Cr8F8PiV16]

van Slageren, J.; Sessoli, R.; Gatteschi, D.; Smith, A. A.; Helliwell, M.; Winpenny, R. E. P.; Cornia, A.; Barra, A. L.; Jansen, A. G. M.; Rentschler, E.; Timco, G. A.

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Magnetic anisotropy of the antiferromagnetic ring [Cr₈F₈PiV₁₆]

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Barra, A. L.
High Magnetic Field Laboratory, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Jansen, A. G. M.
High Magnetic Field Laboratory, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

van Slageren, J., Sessoli, R., Gatteschi, D., Smith, A. A., Helliwell, M., Winpenny, R. E. P., et al. (2002). Magnetic anisotropy of the antiferromagnetic ring [Cr₈F₈PiV₁₆]. Chemistry - A European Journal, 8(1), 277-285.

Cite as: https://hdl.handle.net/21.11116/0000-000E-EE83-2

Abstract

A new tetragonal (P42(1)2) crystalline form of
[Cr(8)F(8)Piv(16)] (HPiv = pivalic acid, trimethyl acetic acid)
is reported. The ring-shaped molecules, which are aligned in a
parallel fashion in the unit cell, form almost perfectly
planar, regular octagons. The interaction between the Cr-III
ions is antiferromagnetic (J = 12 cm(-1)) which results in a S
= 0 spin ground state, The low-lying spin excited states were
investigated by cantilever torque magnetometry (CTM) and high-
frequency EPR (HFEPR). The compound shows hard-axis anisotropy.
The axial zero-field splitting (ZFS) parameters of the first
two spin excited states (S = 1 and S = 2, respectively) are D-1
= 1.59(3) cm(-1) or 1.63 cm(-1) (from CTM and HFEPR,
respectively) and D-2 0.37 cm(-1) (from HFEPR). The dipolar
contributions to the ZFS of the S = 1 and S = 2 spin states
were calculated with the point dipolar approximation. These
contributions proved to be less than the combined single-ion
contributions. Angular overlap model calculations that used
parameters obtained from the electronic absorption spectrum,
showed that the unique axis of the single-ion ZFS is at an
angle of 19.3(1)degrees with respect to the ring axis. The
excellent agreement between the experimental and the
theoretical results show the validity of the used methods for
the analysis of the magnetic anisotropy in antiferromagnetic
Cr-III rings.