(2020) Data for Enhancing easy-plane anisotropy in bespoke Ni(II) quantum magnets. [Dataset]

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Abstract

We examine the crystal structures and magnetic properties of several S = 1 Ni(II) coordination compounds, molecules and polymers, that include the bridging ligands HF2−, AF62− (A = Ti, Zr) and pyrazine or non-bridging ligands F−, SiF62−, glycine, H2O, 1-vinylimidazole, 4-methylpyrazole and 3-hydroxypyridine. Pseudo-octahedral NiN4F2, NiN4O2 or NiN4OF cores consist of equatorial Ni-N bonds that are equal to or slightly longer than the axial Ni-Lax bonds. By design, the zero-field splitting (D) is large in these systems and, in the presence of substantial exchange interactions (J), can be difficult to discriminate from magnetometry measurements on powder samples. Thus, we relied on pulsed-field magnetization in those cases and employed electron-spin resonance (ESR) to confirm D when J ≪ D. The anisotropy of each compound was found to be easy-plane (D > 0) and range from ≈ 8–25 K. This work reveals a linear correlation between the ratio d(Ni-Lax)/d(Ni-Neq) and D although the ligand spectrochemical properties may play an important role. We assert that this relationship allows us to predict the type of magnetocrystalline anisotropy in tailored Ni(II) quantum magnets.

Item Type:	Dataset
Subjects:	Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Faculty of Science > Physics
Type of Data:	Experimental data
Library of Congress Subject Headings (LCSH):	Quantum theory, Magnetic materials, Anisotropy, Magnetic fields, Nickel
Publisher:	Department of Physics
Official Date:	27 April 2020
Dates:	Date Event 12 December 2019 Created 27 April 2020 Published
Date of first compliant deposit:	27 April 2020
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output:	.dat
Access rights to Published version:	Open Access
Description:	Data record consists of a zip archive containing data files in .dat format and an accompanying readme file. Data files are named according to the corresponding figures in the related publication. Further information on specific data files can be found in the accompanying readme file.
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID DMR-1703003 National Science Foundation http://dx.doi.org/10.13039/501100008982 CHE-1827313 National Science Foundation http://dx.doi.org/10.13039/501100008982 681260 H2020 European Research Council http://dx.doi.org/10.13039/100010663 DE-AC02-06CH11357 U.S. Department of Energy http://dx.doi.org/10.13039/100000015 DMR-1644779 National Science Foundation http://dx.doi.org/10.13039/501100008982 EP/N023803/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/N024028/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/N032128/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 Studentship [STFC] Science and Technology Facilities Council http://dx.doi.org/10.13039/501100000271
Related URLs:	Other
Contributors:	Contribution Name Contributor ID Depositor Goddard, Paul 55678

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