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Data for 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, Ozarowski, Andrew, Schlueter, John, Chen, Yu-sheng, Gillon, Béatrice, Goukassov, Arsen, Kibalin, Iurii, Villa, Danielle, Villa, Jacqueline, Manson, Jamie and Goddard, Paul A. (2022) Data for Magneto-structural correlations in Ni^{2+}-halide ··· halide-Ni^{2+} chains. [Dataset]
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Official URL: http://wrap.warwick.ac.uk/160235/
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.
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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 | ||||||||||||||||||||||||||||||||||||
| Type of Data: | .TXT and .DAT | ||||||||||||||||||||||||||||||||||||
| Library of Congress Subject Headings (LCSH): | Magnetic materials, Magnetic materials -- Magnetic properties, Ligands (Biochemistry) -- Research, Transition metal ions, Antiferromagnetism | ||||||||||||||||||||||||||||||||||||
| Publisher: | University of Warwick, Department of Physics | ||||||||||||||||||||||||||||||||||||
| Official Date: | 17 January 2022 | ||||||||||||||||||||||||||||||||||||
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| Status: | Not Peer Reviewed | ||||||||||||||||||||||||||||||||||||
| Publication Status: | Published | ||||||||||||||||||||||||||||||||||||
| Media of Output (format): | .txt .dat | ||||||||||||||||||||||||||||||||||||
| Access rights to Published version: | Open Access | ||||||||||||||||||||||||||||||||||||
| Copyright Holders: | University of Warwick | ||||||||||||||||||||||||||||||||||||
| Description: | Dataset contains .TXT and .DAT files |
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