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Antiferromagnetism in a family of S=1 square lattice coordination polymers NiX2(pyz)2 (X=Cl, Br, I, NCS; pyz=Pyrazine)
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(2016) Antiferromagnetism in a family of S=1 square lattice coordination polymers NiX2(pyz)2 (X=Cl, Br, I, NCS; pyz=Pyrazine). Inorganic Chemistry, 55 (7). pp. 3515-3529. doi:10.1021/acs.inorgchem.5b02991 ISSN 0020-1669.
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Official URL: http://dx.doi.org/10.1021/acs.inorgchem.5b02991
Abstract
The crystal structures of NiX2(pyz)2 (X = Cl (1), Br (2), I (3), and NCS (4)) were determined by synchrotron X-ray powder diffraction. All four compounds consist of two-dimensional (2D) square arrays self-assembled from octahedral NiN4X2 units that are bridged by pyz ligands. The 2D layered motifs displayed by 1–4 are relevant to bifluoride-bridged [Ni(HF2)(pyz)2]EF6 (E = P, Sb), which also possess the same 2D layers. In contrast, terminal X ligands occupy axial positions in 1–4 and cause a staggered packing of adjacent layers. Long-range antiferromagnetic (AFM) order occurs below 1.5 (Cl), 1.9 (Br and NCS), and 2.5 K (I) as determined by heat capacity and muon-spin relaxation. The single-ion anisotropy and g factor of 2, 3, and 4 were measured by electron-spin resonance with no evidence for zero–field splitting (ZFS) being observed. The magnetism of 1–4 spans the spectrum from quasi-two-dimensional (2D) to three-dimensional (3D) antiferromagnetism. Nearly identical results and thermodynamic features were obtained for 2 and 4 as shown by pulsed-field magnetization, magnetic susceptibility, as well as their Néel temperatures. Magnetization curves for 2 and 4 calculated by quantum Monte Carlo simulation also show excellent agreement with the pulsed-field data. Compound 3 is characterized as a 3D AFM with the interlayer interaction (J⊥) being slightly stronger than the intralayer interaction along Ni–pyz–Ni segments (Jpyz) within the two-dimensional [Ni(pyz)2]2+ square planes. Regardless of X, Jpyz is similar for the four compounds and is roughly 1 K.
| Item Type: | Journal Article | ||||||
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| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||
| Library of Congress Subject Headings (LCSH): | Antiferromagnetism | ||||||
| Journal or Publication Title: | Inorganic Chemistry | ||||||
| Publisher: | American Chemical Society | ||||||
| ISSN: | 0020-1669 | ||||||
| Official Date: | 22 March 2016 | ||||||
| Dates: |
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| Volume: | 55 | ||||||
| Number: | 7 | ||||||
| Page Range: | pp. 3515-3529 | ||||||
| DOI: | 10.1021/acs.inorgchem.5b02991 | ||||||
| Status: | Peer Reviewed | ||||||
| Publication Status: | Published | ||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||
| Date of first compliant deposit: | 28 April 2016 | ||||||
| Date of first compliant Open Access: | 22 March 2017 | ||||||
| Funder: | National Science Foundation (U.S.) (NSF), Florida, United States. Department of Energy, Engineering and Physical Sciences Research Council (EPSRC), United States. Department of Energy. Office of Basic Energy Sciences (OBES) | ||||||
| Grant number: | DMR- 1306158 (NSF), DMR–1157490 (NSF), DE-AC02-06CH11357 (OBES), DE-AC02-98CH10886 (OBES) | ||||||
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