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Data for Magnetic ground-state of the one-dimensional ferromagnetic chain compounds M(NCS) 2(thiourea) 2; M = Ni, Co

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Curley, Samuel P.M., Scatena, R., Williams, Robert C., Goddard, Paul, Macchi, P., Hicken, T. J., Lancaster, T., Xiao, F., Blundell, S. J., Zapf, V., Eckert, J. C., Krenkel, E. H., Villa, J. A., Rhodehouse, M. L. and Manson, J. L. (2021) Data for Magnetic ground-state of the one-dimensional ferromagnetic chain compounds M(NCS) 2(thiourea) 2; M = Ni, Co. [Dataset]

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Abstract

The magnetic properties of the two isostructural molecule-based magnets, Ni(NCS)2(thiourea)2,S = 1, [thiourea = SC(NH2)2] and Co(NCS)2(thiourea)2, S = 3/2, are characterised using several techniques in order to rationalise their relationship with structural parameters and ascertain magnetic changes caused by substitution of the spin. Zero-field heat capacity and muon-spin relaxation measurements reveal low-temperature long-range ordering in both compounds, in addition to Ising-like (D < 0) single-ion anisotropy (DCo ∼ -100 K, DNi ∼ -10 K). Crystal and electronic structure, combined with DC-field magnetometry, affirm highly quasi-one-dimensional behaviour, with ferromagnetic intrachain exchange interactions J Co ≈ + 4 K and J Ni ∼ + 100 K and weak antiferromagnetic interchain exchange, on the order of J 0 ∼ − 0.1 K. Electron charge and spindensity mapping reveals through-space exchange as a mechanism to explain the large discrepancy in J-values despite, from a structural perspective, the highly similar exchange pathways in both materials. Both species can be compared to the similar compounds MCl2(thiourea)4, M = Ni(II) (DTN) and Co(II) (DTC), where DTN is known to harbour two magnetic field-induced quantum critical points. Direct comparison of DTN and DTC with the compounds studied here shows that substituting the halide Cl− ion, for the NCS− ion, results in a dramatic change in both the structural
and magnetic properties.

Item Type: Dataset
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Faculty of Science > Chemistry
Type of Data: Experimental data
Library of Congress Subject Headings (LCSH): Thiourea -- Magnetic properties, Organic compounds -- Magnetic properties, Organic compounds -- Properties -- Testing, Muon spin rotation, Crystallization
Publisher: Department of Chemistry
Official Date: 8 February 2021
Dates:
DateEvent
8 February 2021Created
Status: Not Peer Reviewed
Publication Status: Published
Media of Output: .dat
Access rights to Published version: Open Access
Copyright Holders: University of Warwick
Description:

Data record consists of ZIP Archive. Raw data in .dat format of Figures 2 to 9 in the corresponding publication. Further information can be found in the Readme file in the Archive.

RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
681260[ERC] Horizon 2020 Framework Programmehttp://dx.doi.org/10.13039/100010661
DMR-1703003National Science Foundationhttp://dx.doi.org/10.13039/501100008982
NSF/CHE-1834750National Science Foundationhttp://dx.doi.org/10.13039/501100008982
P2 BEP2 188253[SNSF] Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschunghttp://dx.doi.org/10.13039/501100001711
DMR-1157490National Science Foundationhttp://dx.doi.org/10.13039/501100008982
701647H2020 Marie Skłodowska-Curie Actionshttp://dx.doi.org/10.13039/100010665
UNSPECIFIED[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
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Contributors:
ContributionNameContributor ID
DepositorGoddard, Paul55678

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