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Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes
Dalton Transactions ( IF 3.5 ) Pub Date : 2021-08-25 , DOI: 10.1039/d1dt02148f Yue Chen 1 , Qi Yang 1 , Guo Peng 1 , Yi-Quan Zhang 2 , Xiao-Ming Ren 1
Dalton Transactions ( IF 3.5 ) Pub Date : 2021-08-25 , DOI: 10.1039/d1dt02148f Yue Chen 1 , Qi Yang 1 , Guo Peng 1 , Yi-Quan Zhang 2 , Xiao-Ming Ren 1
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Three mononuclear Co(II) complexes with the compositions of [Co(L1)2] (1), [Co(L2)2(CH3CN)] (2) and [Co(L3)2] (3) (HL1 = 2-((E)-(2-fluorobenzylimino)methyl)-4,6-dibromophenol, HL2 = 2-((E)-(3-fluorobenzylimino)methyl)-4,6-dibromophenol and HL3 = 2-((E)-(4-fluorobenzylimino)methyl)-4,6-dibromophenol) were prepared and structurally determined. The changes in the F-positions in the ligands and solvents led to the formation of these products with various coordination geometries. Both complexes 1 and 3 are four-coordinated and their coordination geometries can be described as tetrahedron and seesaw, whereas complex 2 is five coordinated with a coordination configuration in between trigonal bipyramid and square pyramid. Static magnetic studies reveal that all these complexes exhibit considerable easy-axis magnetic anisotropy. The easy-axis magnetic anisotropy of 1 and 3 mainly derives from the first quartet excited state, whereas that of 2 primarily originates from the first, third and fourth quartet excited states established by theoretical calculations. All the resulting complexes display field-induced slow magnetic relaxation. Complex 3 represents the first Co(II) single ion magnet with a seesaw coordination geometry. Ab initio calculations predict that the magnetic anisotropy will enhance when the seesaw coordination geometry varies from distortion to regulation.
中文翻译：
F位和溶剂对Co(II)配合物配位几何和单离子磁体行为的影响
三个单核Co( II )配合物，其组成为[Co(L 1 ) 2 ] ( 1 ), [Co(L 2 ) 2 (CH 3 CN)] ( 2 ) 和[Co(L 3 ) 2 ] ( 3 ) ) (HL 1 = 2-(( E )-(2-氟苄亚氨基)甲基)-4,6-二溴苯酚，HL 2 = 2-(( E )-(3-氟苄亚氨基)甲基)-4,6-二溴苯酚和HL 3 = 2-(( E)-(4-氟苄亚氨基)甲基)-4,6-二溴苯酚)并进行结构测定。配体和溶剂中 F 位的变化导致这些具有各种配位几何结构的产物的形成。配合物1和配合物3都是四配位的，它们的配位几何可以描述为四面体和跷跷板，而配合物2是五配位的，在三角双锥和四方锥之间具有配位构型。静磁研究表明，所有这些配合物都表现出相当大的易轴磁各向异性。1和3的易轴磁各向异性主要来源于第一四重激发态，而2的易轴磁各向异性主要来源于第一四重激发态主要来源于理论计算建立的第一、第三和第四四重激发态。所有得到的复合物都显示出场诱导的缓慢磁弛豫。配合物3代表第一个具有跷跷板配位几何形状的Co( II ) 单离子磁体。从头算计算预测，当跷跷板配位几何形状从畸变变为调节时，磁各向异性将增强。
更新日期：2021-09-15
中文翻译：
F位和溶剂对Co(II)配合物配位几何和单离子磁体行为的影响
三个单核Co( II )配合物，其组成为[Co(L 1 ) 2 ] ( 1 ), [Co(L 2 ) 2 (CH 3 CN)] ( 2 ) 和[Co(L 3 ) 2 ] ( 3 ) ) (HL 1 = 2-(( E )-(2-氟苄亚氨基)甲基)-4,6-二溴苯酚，HL 2 = 2-(( E )-(3-氟苄亚氨基)甲基)-4,6-二溴苯酚和HL 3 = 2-(( E)-(4-氟苄亚氨基)甲基)-4,6-二溴苯酚)并进行结构测定。配体和溶剂中 F 位的变化导致这些具有各种配位几何结构的产物的形成。配合物1和配合物3都是四配位的，它们的配位几何可以描述为四面体和跷跷板，而配合物2是五配位的，在三角双锥和四方锥之间具有配位构型。静磁研究表明，所有这些配合物都表现出相当大的易轴磁各向异性。1和3的易轴磁各向异性主要来源于第一四重激发态，而2的易轴磁各向异性主要来源于第一四重激发态主要来源于理论计算建立的第一、第三和第四四重激发态。所有得到的复合物都显示出场诱导的缓慢磁弛豫。配合物3代表第一个具有跷跷板配位几何形状的Co( II ) 单离子磁体。从头算计算预测，当跷跷板配位几何形状从畸变变为调节时，磁各向异性将增强。
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