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Rare “Janus”-faced single-molecule magnet exhibiting intramolecular ferromagnetic interactions†
Chemical Science ( IF 7.6 ) Pub Date : 2018-11-05 00:00:00 , DOI: 10.1039/c8sc04384a Dimitris I. Alexandropoulos 1, 2, 3, 4 , Kuduva R. Vignesh 1, 2, 3, 4 , Theocharis C. Stamatatos 1, 5, 6, 7 , Kim R. Dunbar 1, 2, 3, 4
Chemical Science ( IF 7.6 ) Pub Date : 2018-11-05 00:00:00 , DOI: 10.1039/c8sc04384a Dimitris I. Alexandropoulos 1, 2, 3, 4 , Kuduva R. Vignesh 1, 2, 3, 4 , Theocharis C. Stamatatos 1, 5, 6, 7 , Kim R. Dunbar 1, 2, 3, 4
Affiliation
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A rare 
disk-like single-molecule magnet (SMM) exclusively bridged by end-on azides with a spin ground state of S = 14 was prepared by the reaction of a divalent FeII precursor with Me3SiN3 under basic conditions. AC magnetic susceptibility studies revealed unusual, “Janus”-faced SMM behavior for the dried and pristine forms of the 
compound attributed to solvation/de-solvation effects of the coordinated MeCN ligands which leads to alterations in the crystal field and symmetry of the metal ions. DFT calculations confirmed the ferromagnetic nature of the interactions between the FeII spin carriers with the zero-field splitting parameters D = −0.2323 cm−1 and E/D = 0.027. The results have important implications for the future study of single-molecule magnets incorporating volatile solvent molecules in the first coordination sphere of the metal ions and their effect on the relaxation dynamics.
中文翻译：
稀有的“ Janus”面 单分子磁体表现出分子内铁磁相互作用†
通过在碱性条件下使二价Fe II前驱体与Me 3 SiN 3反应，制备了仅由自旋基态S = 14的末端叠氮化物桥接的稀有盘状单分子磁体（SMM）。交流磁化率研究表明，化合物的干燥和原始形式具有非常规的“ Janus”表面SMM行为，这归因于配位MeCN配体的溶剂化/去溶剂化作用，导致晶体场和金属离子对称性的改变。DFT计算证实了具有零场分裂参数D = -0.2323 cm的Fe II自旋载流子之间相互作用的铁磁性质-1和E / D = 0.027。该结果对在金属离子的第一配位域中掺入挥发性溶剂分子的单分子磁体的未来研究及其对弛豫动力学的影响具有重要意义。
更新日期：2018-11-05
disk-like single-molecule magnet (SMM) exclusively bridged by end-on azides with a spin ground state of S = 14 was prepared by the reaction of a divalent FeII precursor with Me3SiN3 under basic conditions. AC magnetic susceptibility studies revealed unusual, “Janus”-faced SMM behavior for the dried and pristine forms of the compound attributed to solvation/de-solvation effects of the coordinated MeCN ligands which leads to alterations in the crystal field and symmetry of the metal ions. DFT calculations confirmed the ferromagnetic nature of the interactions between the FeII spin carriers with the zero-field splitting parameters D = −0.2323 cm−1 and E/D = 0.027. The results have important implications for the future study of single-molecule magnets incorporating volatile solvent molecules in the first coordination sphere of the metal ions and their effect on the relaxation dynamics.
中文翻译：
稀有的“ Janus”面 单分子磁体表现出分子内铁磁相互作用†
通过在碱性条件下使二价Fe II前驱体与Me 3 SiN 3反应，制备了仅由
自旋基态S = 14的末端叠氮化物桥接的稀有盘状单分子磁体（SMM）。交流磁化率研究表明，化合物的干燥和原始形式具有非常规的“ Janus”表面SMM行为，这归因于配位MeCN配体的溶剂化/去溶剂化作用，导致晶体场和金属离子对称性的改变。DFT计算证实了具有零场分裂参数D = -0.2323 cm的Fe II自旋载流子之间相互作用的铁磁性质-1和E / D = 0.027。该结果对在金属离子的第一配位域中掺入挥发性溶剂分子的单分子磁体的未来研究及其对弛豫动力学的影响具有重要意义。
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