Zero-Field Splitting in {Mnlll3(μ3-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy

Marc Sigrist; Philip L. W. Tregenna-Piggott; Kasper Steen Pedersen; Mikkel A. Sørensen; Anne-Laure Barra; Jürg Hauser; Shi-Xia Liu; Silvio Decurtins; Hannu Mutka; Jesper Bendix

doi:10.1002/ejic.201500084

Zero-Field Splitting in {Mn^lll₃(μ₃-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy

Marc Sigrist
, Philip L. W. Tregenna-Piggott
, Kasper Steen Pedersen
, Mikkel A. Sørensen
, Anne-Laure Barra
, Jürg Hauser
, Shi-Xia Liu
, Silvio Decurtins
, Hannu Mutka
, Jesper Bendix

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The global zero-field splitting (ZFS) parameters of three, ferromagnetically coupled, μ₃-K³)-[XO₄]^- (X = Cl, Re) capped, manganese(III) oximate single-molecule magnets, [Mn₃O(R-sao)₃(2,4'-bipyridine)₃)XO₄] [X = Cl, R = Me, Et; X = Re, R = Me; Me-sao = 2-hydroxyphenylethanone oximate(2-)], with crystallographic trigonal symmetry were determined by use of inelastic neutron scattering and high-field/high-frequency electron paramagnetic resonance spectroscopy. ReO₄^- (O…O ca. 1.7 Å) is larger than ClO₄^- (OO ca. 1.4 Å), which allows more parallel alignment of the local ZFS tensors. However, this chemical modification results in concomitant distortions in the equatorial ligand plane. Consistent parametrization of all spectroscopic data was achieved, and effective spin-reversal barriers determined from alternating current susceptibility data were shown to be in good accordance with the energy barriers deduced from spectroscopy.

Original language	English
Journal	European Journal of Inorganic Chemistry
Volume	2015
Issue number	16
Pages (from-to)	2683-2689
ISSN	1434-1948
DOIs	https://doi.org/10.1002/ejic.201500084
Publication status	Published - 2015
Externally published	Yes

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Sigrist, M., Tregenna-Piggott, P. L. W., Pedersen, K. S., Sørensen, M. A., Barra, A.-L., Hauser, J., Liu, S.-X., Decurtins, S., Mutka, H., & Bendix, J. (2015). Zero-Field Splitting in {Mn^lll₃(μ₃-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy. European Journal of Inorganic Chemistry, 2015(16), 2683-2689. https://doi.org/10.1002/ejic.201500084

@article{bf17e8c1b9e0410388a89e0eb255a876,

title = "Zero-Field Splitting in \{Mnlll3(μ3-O)\} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy",

abstract = "The global zero-field splitting (ZFS) parameters of three, ferromagnetically coupled, μ3-K3)-[XO4]- (X = Cl, Re) capped, manganese(III) oximate single-molecule magnets, [Mn3O(R-sao)3(2,4'-bipyridine)3)XO4] [X = Cl, R = Me, Et; X = Re, R = Me; Me-sao = 2-hydroxyphenylethanone oximate(2-)], with crystallographic trigonal symmetry were determined by use of inelastic neutron scattering and high-field/high-frequency electron paramagnetic resonance spectroscopy. ReO4- (O…O ca. 1.7 {\AA}) is larger than ClO4- (OO ca. 1.4 {\AA}), which allows more parallel alignment of the local ZFS tensors. However, this chemical modification results in concomitant distortions in the equatorial ligand plane. Consistent parametrization of all spectroscopic data was achieved, and effective spin-reversal barriers determined from alternating current susceptibility data were shown to be in good accordance with the energy barriers deduced from spectroscopy.",

author = "Marc Sigrist and Tregenna-Piggott, \{Philip L. W.\} and Pedersen, \{Kasper Steen\} and S{\o}rensen, \{Mikkel A.\} and Anne-Laure Barra and J{\"u}rg Hauser and Shi-Xia Liu and Silvio Decurtins and Hannu Mutka and Jesper Bendix",

year = "2015",

doi = "10.1002/ejic.201500084",

language = "English",

volume = "2015",

pages = "2683--2689",

journal = "European Journal of Inorganic Chemistry",

issn = "1434-1948",

publisher = "Wiley-VCH",

number = "16",

}

Sigrist, M, Tregenna-Piggott, PLW, Pedersen, KS, Sørensen, MA, Barra, A-L, Hauser, J, Liu, S-X, Decurtins, S, Mutka, H & Bendix, J 2015, 'Zero-Field Splitting in {Mn^lll₃(μ₃-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy', European Journal of Inorganic Chemistry, vol. 2015, no. 16, pp. 2683-2689. https://doi.org/10.1002/ejic.201500084

Zero-Field Splitting in {Mn^lll₃(μ₃-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy. / Sigrist, Marc; Tregenna-Piggott, Philip L. W.; Pedersen, Kasper Steen et al.
In: European Journal of Inorganic Chemistry, Vol. 2015, No. 16, 2015, p. 2683-2689.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Zero-Field Splitting in {Mnlll3(μ3-O)} Core Single-Molecule Magnets Investigated by Inelastic Neutron Scattering and High-Field Electron Paramagnetic Resonance Spectroscopy

AU - Sigrist, Marc

AU - Tregenna-Piggott, Philip L. W.

AU - Pedersen, Kasper Steen

AU - Sørensen, Mikkel A.

AU - Barra, Anne-Laure

AU - Hauser, Jürg

AU - Liu, Shi-Xia

AU - Decurtins, Silvio

AU - Mutka, Hannu

AU - Bendix, Jesper

PY - 2015

Y1 - 2015

N2 - The global zero-field splitting (ZFS) parameters of three, ferromagnetically coupled, μ3-K3)-[XO4]- (X = Cl, Re) capped, manganese(III) oximate single-molecule magnets, [Mn3O(R-sao)3(2,4'-bipyridine)3)XO4] [X = Cl, R = Me, Et; X = Re, R = Me; Me-sao = 2-hydroxyphenylethanone oximate(2-)], with crystallographic trigonal symmetry were determined by use of inelastic neutron scattering and high-field/high-frequency electron paramagnetic resonance spectroscopy. ReO4- (O…O ca. 1.7 Å) is larger than ClO4- (OO ca. 1.4 Å), which allows more parallel alignment of the local ZFS tensors. However, this chemical modification results in concomitant distortions in the equatorial ligand plane. Consistent parametrization of all spectroscopic data was achieved, and effective spin-reversal barriers determined from alternating current susceptibility data were shown to be in good accordance with the energy barriers deduced from spectroscopy.

AB - The global zero-field splitting (ZFS) parameters of three, ferromagnetically coupled, μ3-K3)-[XO4]- (X = Cl, Re) capped, manganese(III) oximate single-molecule magnets, [Mn3O(R-sao)3(2,4'-bipyridine)3)XO4] [X = Cl, R = Me, Et; X = Re, R = Me; Me-sao = 2-hydroxyphenylethanone oximate(2-)], with crystallographic trigonal symmetry were determined by use of inelastic neutron scattering and high-field/high-frequency electron paramagnetic resonance spectroscopy. ReO4- (O…O ca. 1.7 Å) is larger than ClO4- (OO ca. 1.4 Å), which allows more parallel alignment of the local ZFS tensors. However, this chemical modification results in concomitant distortions in the equatorial ligand plane. Consistent parametrization of all spectroscopic data was achieved, and effective spin-reversal barriers determined from alternating current susceptibility data were shown to be in good accordance with the energy barriers deduced from spectroscopy.

U2 - 10.1002/ejic.201500084

DO - 10.1002/ejic.201500084

M3 - Journal article

SN - 1434-1948

VL - 2015

SP - 2683

EP - 2689

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

IS - 16