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Magneto-structural correlations in Ni^{2+}-halide ··· halide-Ni^{2+} chains
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Blackmore, William J. A., Curley, Samuel P. M., Williams, Robert C., Vaidya, Shroya, Singleton, John, Birnbaum, Serena, Ozarwoski, Andrew, Schlueter, John, Chen, Yu-Sheng, Gillon, Béatrice, Goukassov, Arsen, Kibalin, Iurii, Villa, Danielle, Villa, Jacqueline, Manson, Jamie and Goddard, Paul (2022) Magneto-structural correlations in Ni^{2+}-halide ··· halide-Ni^{2+} chains. Inorganic Chemistry, 61 (1). pp. 141-153. doi:10.1021/acs.inorgchem.1c02483 ISSN 0020-1669.
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Official URL: https://doi.org/10.1021/acs.inorgchem.1c02483
Abstract
We present the magnetic properties of a new family of S = 1 molecule-based magnets, NiF2(3,5-lut)4·2H2O and NiX2(3,5-lut)4, where X = HF2, Cl, Br, or I (lut = lutidine C7H9N). Upon creation of isolated Ni–X···X–Ni and Ni–F–H–F···F–H–F–Ni chains separated by bulky and nonbridging lutidine ligands, the effect that halogen substitution has on the magnetic properties of transition-metal-ion complexes can be investigated directly and in isolation from competing processes such as Jahn–Teller distortions. We find that substitution of the larger halide ions turns on increasingly strong antiferromagnetic interactions between adjacent Ni2+ ions via a novel through-space two-halide exchange. In this process, the X···X bond lengths in the Br and I materials are more than double the van der Waals radius of X yet can still mediate significant magnetic interactions. We also find that a simple model based on elongation/compression of the Ni2+ octahedra cannot explain the observed single-ion anisotropy in mixed-ligand compounds. We offer an alternative that takes into account the difference in the electronegativity of axial and equatorial ligands.
Item Type: | Journal Article | ||||||||||||||||||||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry T Technology > TK Electrical engineering. Electronics Nuclear engineering |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Magnetic materials, Magnetic materials -- Magnetic properties, Ligands (Biochemistry) -- Research, Transition metal ions, Antiferromagnetism | ||||||||||||||||||||||||||||||||||||
Journal or Publication Title: | Inorganic Chemistry | ||||||||||||||||||||||||||||||||||||
Publisher: | American Chemical Society | ||||||||||||||||||||||||||||||||||||
ISSN: | 0020-1669 | ||||||||||||||||||||||||||||||||||||
Official Date: | 10 January 2022 | ||||||||||||||||||||||||||||||||||||
Dates: |
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Volume: | 61 | ||||||||||||||||||||||||||||||||||||
Number: | 1 | ||||||||||||||||||||||||||||||||||||
Page Range: | pp. 141-153 | ||||||||||||||||||||||||||||||||||||
DOI: | 10.1021/acs.inorgchem.1c02483 | ||||||||||||||||||||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||||||||||||||||||||
Re-use Statement: | “This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html].” | ||||||||||||||||||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||||||||||||||||||||
Copyright Holders: | Copyright © 2021 The Authors. Published by American Chemical Society | ||||||||||||||||||||||||||||||||||||
Date of first compliant deposit: | 9 December 2021 | ||||||||||||||||||||||||||||||||||||
Date of first compliant Open Access: | 10 January 2022 | ||||||||||||||||||||||||||||||||||||
RIOXX Funder/Project Grant: |
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