Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster

Stergios Piligkos; David Collison; Vasily S. Oganesyan; Gopalan Rajaraman; Grigore A. Timco; Andrew J. Thomson; Richard E. P. Winpenny; Eric J. L. McInnes

doi:10.1103/PhysRevB.69.134424

Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster

Stergios Piligkos, David Collison, Vasily S. Oganesyan, Gopalan Rajaraman, Grigore A. Timco, Andrew J. Thomson, Richard E. P. Winpenny, Eric J. L. McInnes

Centre for Photonics and Quantum Science

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

We present a parallel-mode EPR study of a very high-spin ground-state cluster complex [Cr₁₂O₉(OH)₃(O ₂CCMe₃)₁₅], where Me indicates the methyl group. This high-symmetry (D₃) molecule has a well-isolated S=6 ground state characterized by D=+0.088 cm^-1, E=0, g _zz=1,965, g_xx=g_yy=1.960. Low-temperature (5 K) single-crystal and powder parallel- and perpendicular-mode EPR spectra are presented. The forms of the spectra are discussed with respect to the composition of the wave functions as a function of the angle of the static magnetic field to the molecular Z axis, the selection rules of the two excitation modes, and the resultant transition probabilities. This is the largest spin state studied by parallel mode EPR spectroscopy to date, and the results demonstrate the applicability of parallel-mode EPR to high-spin ground-state molecular clusters such as single-molecule magnets.

Original language	English
Article number	134424
Pages (from-to)	134424-1-134424-8
Number of pages	8
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	69
Issue number	13
DOIs	https://doi.org/10.1103/PhysRevB.69.134424
Publication status	Published - Apr 2004

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10.1103/PhysRevB.69.134424

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Piligkos, S., Collison, D., Oganesyan, V. S., Rajaraman, G., Timco, G. A., Thomson, A. J., Winpenny, R. E. P., & McInnes, E. J. L. (2004). Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster. Physical Review B - Condensed Matter and Materials Physics, 69(13), 134424-1-134424-8. [134424]. https://doi.org/10.1103/PhysRevB.69.134424

Piligkos, Stergios ; Collison, David ; Oganesyan, Vasily S. ; Rajaraman, Gopalan ; Timco, Grigore A. ; Thomson, Andrew J. ; Winpenny, Richard E. P. ; McInnes, Eric J. L. / Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster. In: Physical Review B - Condensed Matter and Materials Physics. 2004 ; Vol. 69, No. 13. pp. 134424-1-134424-8.

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title = "Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster",

abstract = "We present a parallel-mode EPR study of a very high-spin ground-state cluster complex [Cr12O9(OH)3(O 2CCMe3)15], where Me indicates the methyl group. This high-symmetry (D3) molecule has a well-isolated S=6 ground state characterized by D=+0.088 cm-1, E=0, g zz=1,965, gxx=gyy=1.960. Low-temperature (5 K) single-crystal and powder parallel- and perpendicular-mode EPR spectra are presented. The forms of the spectra are discussed with respect to the composition of the wave functions as a function of the angle of the static magnetic field to the molecular Z axis, the selection rules of the two excitation modes, and the resultant transition probabilities. This is the largest spin state studied by parallel mode EPR spectroscopy to date, and the results demonstrate the applicability of parallel-mode EPR to high-spin ground-state molecular clusters such as single-molecule magnets.",

author = "Stergios Piligkos and David Collison and Oganesyan, {Vasily S.} and Gopalan Rajaraman and Timco, {Grigore A.} and Thomson, {Andrew J.} and Winpenny, {Richard E. P.} and McInnes, {Eric J. L.}",

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Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster. / Piligkos, Stergios; Collison, David; Oganesyan, Vasily S.; Rajaraman, Gopalan; Timco, Grigore A.; Thomson, Andrew J.; Winpenny, Richard E. P.; McInnes, Eric J. L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 69, No. 13, 134424, 04.2004, p. 134424-1-134424-8.

Research output: Contribution to journal › Article › peer-review

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T1 - Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster

AU - Piligkos, Stergios

AU - Collison, David

AU - Oganesyan, Vasily S.

AU - Rajaraman, Gopalan

AU - Timco, Grigore A.

AU - Thomson, Andrew J.

AU - Winpenny, Richard E. P.

AU - McInnes, Eric J. L.

PY - 2004/4

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N2 - We present a parallel-mode EPR study of a very high-spin ground-state cluster complex [Cr12O9(OH)3(O 2CCMe3)15], where Me indicates the methyl group. This high-symmetry (D3) molecule has a well-isolated S=6 ground state characterized by D=+0.088 cm-1, E=0, g zz=1,965, gxx=gyy=1.960. Low-temperature (5 K) single-crystal and powder parallel- and perpendicular-mode EPR spectra are presented. The forms of the spectra are discussed with respect to the composition of the wave functions as a function of the angle of the static magnetic field to the molecular Z axis, the selection rules of the two excitation modes, and the resultant transition probabilities. This is the largest spin state studied by parallel mode EPR spectroscopy to date, and the results demonstrate the applicability of parallel-mode EPR to high-spin ground-state molecular clusters such as single-molecule magnets.

AB - We present a parallel-mode EPR study of a very high-spin ground-state cluster complex [Cr12O9(OH)3(O 2CCMe3)15], where Me indicates the methyl group. This high-symmetry (D3) molecule has a well-isolated S=6 ground state characterized by D=+0.088 cm-1, E=0, g zz=1,965, gxx=gyy=1.960. Low-temperature (5 K) single-crystal and powder parallel- and perpendicular-mode EPR spectra are presented. The forms of the spectra are discussed with respect to the composition of the wave functions as a function of the angle of the static magnetic field to the molecular Z axis, the selection rules of the two excitation modes, and the resultant transition probabilities. This is the largest spin state studied by parallel mode EPR spectroscopy to date, and the results demonstrate the applicability of parallel-mode EPR to high-spin ground-state molecular clusters such as single-molecule magnets.

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Single-crystal parallel-mode EPR spectroscopy of an S=6 ground-state transition-metal cluster

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