Magnetic exchange, anisotropy and excitonic fluctuations in a [NiII7] Anderson wheel

Emily H. Payne; Lucinda R.B. Wilson; Mukesh K. Singh; Gary S. Nichol; J. R. Stewart; V. Garcia-Sakai; R. A. Ewings; Harry Lane; Jürgen Schnack; Chris Stock; Euan K. Brechin

doi:10.1039/d3qi02307a

Magnetic exchange, anisotropy and excitonic fluctuations in a [Ni^II₇] Anderson wheel

Emily H. Payne, Lucinda R.B. Wilson, Mukesh K. Singh, Gary S. Nichol, J. R. Stewart, V. Garcia-Sakai, R. A. Ewings, Harry Lane, Jürgen Schnack^*, Chris Stock^*, Euan K. Brechin^*

^*Corresponding author for this work

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

Abstract / Description of output

The solvothermal reaction of Ni(ClO₄)₂·6H₂O with hmpH and picH in a basic MeOH solution affords [Ni₇(hmp)_7.55(pic)_4.45](ClO₄)₂·6MeOH (1·6MeOH) directly upon cooling the mother liquor. The metallic skeleton of 1 describes a [Ni^II₇] centred hexagon, commonly referred to as an Anderson wheel. Magnetic measurements reveal ferromagnetic exchange between the central Ni ion and the ring Ni ions, and antiferromagnetic exchange between neighbouring ring Ni ions. They also confirm the presence of easy-plane anisotropy for the central Ni ion, and easy-axis anisotropy for the ring Ni ions, in agreement with DFT calculations and neutron scattering. For the analysis of the latter we apply an excitonic formalism using a Green's function response theory.

Original language	English
Journal	Inorganic Chemistry Frontiers
Early online date	23 Nov 2023
DOIs	https://doi.org/10.1039/d3qi02307a
Publication status	E-pub ahead of print - 23 Nov 2023

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10.1039/d3qi02307a

20231123Brechind3qi02307aVoRFinal published version, 1.02 MBLicence: Creative Commons: Attribution (CC-BY)

https://pubs.rsc.org/en/Content/ArticleLanding/2024/QI/D3QI02307A

MMQIP: Molecular Magnets: Coordination Cages, Frameworks and Multifunctional Materials
Brechin, E.
EU government bodies
14/04/20 → 13/04/22
Project: Research

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@article{3b85322a4f0a45a08af53db4e9c9735a,

title = "Magnetic exchange, anisotropy and excitonic fluctuations in a [NiII7] Anderson wheel",

abstract = "The solvothermal reaction of Ni(ClO4)2·6H2O with hmpH and picH in a basic MeOH solution affords [Ni7(hmp)7.55(pic)4.45](ClO4)2·6MeOH (1·6MeOH) directly upon cooling the mother liquor. The metallic skeleton of 1 describes a [NiII7] centred hexagon, commonly referred to as an Anderson wheel. Magnetic measurements reveal ferromagnetic exchange between the central Ni ion and the ring Ni ions, and antiferromagnetic exchange between neighbouring ring Ni ions. They also confirm the presence of easy-plane anisotropy for the central Ni ion, and easy-axis anisotropy for the ring Ni ions, in agreement with DFT calculations and neutron scattering. For the analysis of the latter we apply an excitonic formalism using a Green's function response theory.",

author = "Payne, {Emily H.} and Wilson, {Lucinda R.B.} and Singh, {Mukesh K.} and Nichol, {Gary S.} and Stewart, {J. R.} and V. Garcia-Sakai and Ewings, {R. A.} and Harry Lane and J{\"u}rgen Schnack and Chris Stock and Brechin, {Euan K.}",

note = "Funding Information: We thank the European Union Horizon 2020 Research and Innovation Programme under the Marie Sk{\l}odowska-Curie grant agreement no. 832488 (MKS). Publisher Copyright: {\textcopyright} 2024 The Royal Society of Chemistry.",

year = "2023",

month = nov,

day = "23",

doi = "10.1039/d3qi02307a",

language = "English",

journal = "Inorganic Chemistry Frontiers",

issn = "2052-1553",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - Magnetic exchange, anisotropy and excitonic fluctuations in a [NiII7] Anderson wheel

AU - Payne, Emily H.

AU - Wilson, Lucinda R.B.

AU - Singh, Mukesh K.

AU - Nichol, Gary S.

AU - Stewart, J. R.

AU - Garcia-Sakai, V.

AU - Ewings, R. A.

AU - Lane, Harry

AU - Schnack, Jürgen

AU - Stock, Chris

AU - Brechin, Euan K.

N1 - Funding Information: We thank the European Union Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement no. 832488 (MKS). Publisher Copyright: © 2024 The Royal Society of Chemistry.

PY - 2023/11/23

Y1 - 2023/11/23

N2 - The solvothermal reaction of Ni(ClO4)2·6H2O with hmpH and picH in a basic MeOH solution affords [Ni7(hmp)7.55(pic)4.45](ClO4)2·6MeOH (1·6MeOH) directly upon cooling the mother liquor. The metallic skeleton of 1 describes a [NiII7] centred hexagon, commonly referred to as an Anderson wheel. Magnetic measurements reveal ferromagnetic exchange between the central Ni ion and the ring Ni ions, and antiferromagnetic exchange between neighbouring ring Ni ions. They also confirm the presence of easy-plane anisotropy for the central Ni ion, and easy-axis anisotropy for the ring Ni ions, in agreement with DFT calculations and neutron scattering. For the analysis of the latter we apply an excitonic formalism using a Green's function response theory.

AB - The solvothermal reaction of Ni(ClO4)2·6H2O with hmpH and picH in a basic MeOH solution affords [Ni7(hmp)7.55(pic)4.45](ClO4)2·6MeOH (1·6MeOH) directly upon cooling the mother liquor. The metallic skeleton of 1 describes a [NiII7] centred hexagon, commonly referred to as an Anderson wheel. Magnetic measurements reveal ferromagnetic exchange between the central Ni ion and the ring Ni ions, and antiferromagnetic exchange between neighbouring ring Ni ions. They also confirm the presence of easy-plane anisotropy for the central Ni ion, and easy-axis anisotropy for the ring Ni ions, in agreement with DFT calculations and neutron scattering. For the analysis of the latter we apply an excitonic formalism using a Green's function response theory.

U2 - 10.1039/d3qi02307a

DO - 10.1039/d3qi02307a

M3 - Article

AN - SCOPUS:85179171625

SN - 2052-1553

JO - Inorganic Chemistry Frontiers

JF - Inorganic Chemistry Frontiers

ER -

Magnetic exchange, anisotropy and excitonic fluctuations in a [NiII7] Anderson wheel

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MMQIP: Molecular Magnets: Coordination Cages, Frameworks and Multifunctional Materials

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Magnetic exchange, anisotropy and excitonic fluctuations in a [Ni^II₇] Anderson wheel