Academic Journal
Data for Magneto-structural correlations in Ni^{2+}-halide ··· halide-Ni^{2+} chains
| العنوان: | Data for Magneto-structural correlations in Ni^{2+}-halide ··· halide-Ni^{2+} chains |
|---|---|
| المؤلفون: | 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, Goddard, Paul A. |
| بيانات النشر: | University of Warwick, Department of Physics |
| سنة النشر: | 2022 |
| المجموعة: | The University of Warwick: WRAP - Warwick Research Archive Portal |
| مصطلحات موضوعية: | QC Physics, QD Chemistry, TK Electrical engineering. Electronics Nuclear engineering |
| الوصف: | 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. |
| نوع الوثيقة: | text dataset |
| وصف الملف: | text/plain; application/zip |
| اللغة: | unknown |
| Relation: | http://wrap.warwick.ac.uk/160235/1/README.txt; http://wrap.warwick.ac.uk/160235/2/Blackmore_etal_InorgChem_2022.zip; 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] |
| الاتاحة: | http://wrap.warwick.ac.uk/160235/ http://wrap.warwick.ac.uk/160235/1/README.txt http://wrap.warwick.ac.uk/160235/2/Blackmore_etal_InorgChem_2022.zip |
| رقم الانضمام: | edsbas.2B77CFA6 |
| قاعدة البيانات: | BASE |
| الوصف غير متاح. |