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Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.
Dalton Transactions ( IF 3.5 ) Pub Date : 2020-01-06 , DOI: 10.1039/c9dt04592a Barbora Brachňaková 1 , Simona Matejová 1 , Ján Moncol 1 , Radovan Herchel 2 , Ján Pavlik 1 , Eufemio Moreno-Pineda 3 , Mario Ruben 4 , Ivan Šalitroš 5
Dalton Transactions ( IF 3.5 ) Pub Date : 2020-01-06 , DOI: 10.1039/c9dt04592a Barbora Brachňaková 1 , Simona Matejová 1 , Ján Moncol 1 , Radovan Herchel 2 , Ján Pavlik 1 , Eufemio Moreno-Pineda 3 , Mario Ruben 4 , Ivan Šalitroš 5
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A tridentate ligand L (2,6-bis(1-(3,5-di-tert-butylbenzyl)-1H-benzimidazol-2-yl)pyridine) was synthesized and used for the preparation of three pentacoordinated Co(ii) complexes of formula [Co(L)X2] (where X = NCS- for 1, X = Cl- for 2 and X = Br- for 3) and one ionic compound 4 ([Co(L)2]Br2·2CH3OH·H2O) containing a hexacoordinated Co(ii) centre. Static magnetic data were analysed with respect to the spin (1-3) or the Griffith-Figgis (4) Hamiltonian. Ab initio calculations enable us to identify the positive axial magnetic anisotropy parameter D accompanied by a significant degree of rhombicity in the reported complexes. Also, magneto-structural correlation was outlined for this class of compounds. Moreover, all four compounds exhibit slow relaxation of magnetisation at an applied static magnetic field with either both low- and high-frequency relaxation channels (3) or a single high-frequency relaxation process (1, 2 and 4). The interplay between the stereochemistry of coordination polyhedra, magnetic anisotropy and the relaxation processes was investigated and discussed in detail.
中文翻译：
具有三齿刚性配体的五和六配位Co（ii）配合物中配位多面体与单离子磁性的立体化学。
合成了三齿配体L（2,6-双（1-（3,5-二叔丁基苄基）-1H-苯并咪唑-2-基）吡啶）并将其用于制备三种五配位的Co（ii）配合物式[Co（L）X2]（其中X = NCS-表示1，X = Cl-表示2和X = Br-表示3）和一种离子化合物4（[Co（L）2] Br2·2CH3OH·H2O ）包含一个六配位的Co（ii）中心。针对自旋（1-3）或格里菲斯-菲吉斯（4）哈密顿量分析了静磁数据。从头算计算使我们能够识别正的轴向磁各向异性参数D，并伴有所报告配合物的显着菱形度。同样，概述了这类化合物的磁结构相关性。而且，在低频和高频弛豫通道（3）或单个高频弛豫过程（1、2和4）的作用下，所有四种化合物在施加的静磁场下均显示出缓慢的磁化弛豫。研究和讨论了配位多面体的立体化学，磁各向异性和弛豫过程之间的相互作用。
更新日期：2020-01-06
中文翻译：
具有三齿刚性配体的五和六配位Co（ii）配合物中配位多面体与单离子磁性的立体化学。
合成了三齿配体L（2,6-双（1-（3,5-二叔丁基苄基）-1H-苯并咪唑-2-基）吡啶）并将其用于制备三种五配位的Co（ii）配合物式[Co（L）X2]（其中X = NCS-表示1，X = Cl-表示2和X = Br-表示3）和一种离子化合物4（[Co（L）2] Br2·2CH3OH·H2O ）包含一个六配位的Co（ii）中心。针对自旋（1-3）或格里菲斯-菲吉斯（4）哈密顿量分析了静磁数据。从头算计算使我们能够识别正的轴向磁各向异性参数D，并伴有所报告配合物的显着菱形度。同样，概述了这类化合物的磁结构相关性。而且，在低频和高频弛豫通道（3）或单个高频弛豫过程（1、2和4）的作用下，所有四种化合物在施加的静磁场下均显示出缓慢的磁化弛豫。研究和讨论了配位多面体的立体化学，磁各向异性和弛豫过程之间的相互作用。
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