Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine)
The crystal structures of NiX2(pyz)2 (X = Cl (1), Br (2), I (3) and NCS (4)) were determined at 298 K 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...
| Main Authors: | , , , , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Journal article |
| Language: | English |
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American Chemical Society
2016
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| _version_ | 1826312991460556800 |
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| author | Liu, J Goddard, PA Singleton, J Brambleby, J Foronda, F Möller, J Kohama, Y Ghannadzadeh, S Ardavan, A Blundell, S Lancaster, T Xiao, F Williams, R Pratt, F Baker, P Wierschem, K Lapidus, S Stone, K Stephens, P Bendix, J Woods, T Carreiro, K Tran, H Villa, C Manson, J |
| author_facet | Liu, J Goddard, PA Singleton, J Brambleby, J Foronda, F Möller, J Kohama, Y Ghannadzadeh, S Ardavan, A Blundell, S Lancaster, T Xiao, F Williams, R Pratt, F Baker, P Wierschem, K Lapidus, S Stone, K Stephens, P Bendix, J Woods, T Carreiro, K Tran, H Villa, C Manson, J |
| author_sort | Liu, J |
| collection | OXFORD |
| description | The crystal structures of NiX2(pyz)2 (X = Cl (1), Br (2), I (3) and NCS (4)) were determined at 298 K 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]ZF6 (Z = P, Sb) which also possess the same 2D layers. In contrast, terminal X ligands occupy axial positions in 1-4 and cause a staggering of adjacent layers. Long-range antiferromagnetic 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 are measured by electron spin resonance where no zero–field splitting was found. The magnetism of 1-4 crosses a spectrum from quasi-two-dimensional to three-dimensional antiferromagnetism. An excellent agreement was found between the pulsedfield magnetization, magnetic susceptibility and TN of 2 and 4. Magnetization curves for 2 and 4 calculated by quantum Monte Carlo simulation also show excellent agreement with the pulsed-field data. 3 is characterized as a three-dimensional antiferromagnet with the interlayer interaction (J⊥) slightly stronger than the interaction within the two-dimensional [Ni(pyz)2]2+ square planes (Jpyz). |
| first_indexed | 2024-03-07T02:42:39Z |
| format | Journal article |
| id | oxford-uuid:aaf6f911-5c60-4310-b4e5-53acf7f35e83 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-09-25T04:05:37Z |
| publishDate | 2016 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:aaf6f911-5c60-4310-b4e5-53acf7f35e832024-05-22T09:47:38ZAntiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine)Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:aaf6f911-5c60-4310-b4e5-53acf7f35e83EnglishSymplectic Elements at OxfordAmerican Chemical Society2016Liu, JGoddard, PASingleton, JBrambleby, JForonda, FMöller, JKohama, YGhannadzadeh, SArdavan, ABlundell, SLancaster, TXiao, FWilliams, RPratt, FBaker, PWierschem, KLapidus, SStone, KStephens, PBendix, JWoods, TCarreiro, KTran, HVilla, CManson, JThe crystal structures of NiX2(pyz)2 (X = Cl (1), Br (2), I (3) and NCS (4)) were determined at 298 K 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]ZF6 (Z = P, Sb) which also possess the same 2D layers. In contrast, terminal X ligands occupy axial positions in 1-4 and cause a staggering of adjacent layers. Long-range antiferromagnetic 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 are measured by electron spin resonance where no zero–field splitting was found. The magnetism of 1-4 crosses a spectrum from quasi-two-dimensional to three-dimensional antiferromagnetism. An excellent agreement was found between the pulsedfield magnetization, magnetic susceptibility and TN of 2 and 4. Magnetization curves for 2 and 4 calculated by quantum Monte Carlo simulation also show excellent agreement with the pulsed-field data. 3 is characterized as a three-dimensional antiferromagnet with the interlayer interaction (J⊥) slightly stronger than the interaction within the two-dimensional [Ni(pyz)2]2+ square planes (Jpyz). |
| spellingShingle | Liu, J Goddard, PA Singleton, J Brambleby, J Foronda, F Möller, J Kohama, Y Ghannadzadeh, S Ardavan, A Blundell, S Lancaster, T Xiao, F Williams, R Pratt, F Baker, P Wierschem, K Lapidus, S Stone, K Stephens, P Bendix, J Woods, T Carreiro, K Tran, H Villa, C Manson, J Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title | Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title_full | Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title_fullStr | Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title_full_unstemmed | Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title_short | Antiferromagnetism in a family of S = 1 square lattice coordination polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = pyrazine) |
| title_sort | 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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