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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5- dithiolate: Syntheses, structures, magnetic properties and theoretical analyses
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Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5- dithiolate: Syntheses, structures, magnetic properties and theoretical analyses

机译：基于2-thioxo-1,3-dithiole-4,5-dithiolate的三种新型镍（III）化合物：合成，结构，磁性和理论分析

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摘要

Three new molecular solids, (ADP)_2[Ni(dmit)_2] _2 (1), (BDP)[Ni(dmit)_2]·CH_3COCH _3 (2) and (CP)_2[Ni(dmit)_2]_3 (3) (dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate, ADP = 1-(2,4-dichlorobenzyl)-3,5- dimethylpyridinium, BDP = 1-(3,4-dichlorobenzyl)-3,5-dimethylpyridinium and CP = 1-(2,4-dichlorobenzyl)-3-methylpyridinium) have been prepared and characterized by elemental analysis, IR and single-crystal X-ray diffraction. All the compounds formed stacking columns containing cations and anions. In the crystal structure of 1, both ADP cations and [Ni(dmit)_2] anions were found to form stacked dimers, and these dimers piled up alternately in columns. In 2, the anions of [Ni(dmit)_2] anions stack into dimers, which further construct into a 1D zig-zag chain through lateral S?S interactions. Compound 3 shows stacks built from trimers of Ni(dmit)_2 units, which further construct into 3D network structure through short S?S interactions, S?Cl interactions and C-H?S hydrogen bonds. Magnetic susceptibility measurements for 1-3 in the temperature range 2-300 K show that the overall magnetic behavior indicates the presence of antiferromagnetic interaction, while 3 exhibits an activated magnetic behavior in the high-temperature region (HT) together with a Curie tail in the low-temperature region (LT).
机译：三种新的分子固体（ADP）_2 [Ni（dmit）_2] _2（1），（BDP）[Ni（dmit）_2]·CH_3COCH _3（2）和（CP）_2 [Ni（dmit）_2] _3 （3）（dmit = 2-硫代-1,3-二硫代-4,5-二硫代酸酯，ADP = 1-（2,4-二氯苄基）-3,5-二甲基吡啶鎓，BDP = 1-（3,4-二氯苄基）-3,5-二甲基吡啶鎓和CP = 1-（2,4-二氯苄基）-3-甲基吡啶鎓已制备并通过元素分析，红外光谱和单晶X射线衍射进行了表征。所有的化合物形成了包含阳离子和阴离子的堆积柱。在1的晶体结构中，发现ADP阳离子和[Ni（dmit）_2]阴离子均形成堆叠的二聚体，这些二聚体交替堆积在柱中。在图2中，[Ni（dmit）_2]阴离子堆叠成二聚体，并通过侧向S？S相互作用进一步构建成1D之字形链。化合物3显示了由Ni（dmit）_2单元的三聚体构建的堆叠，该堆叠通过短的S？S相互作用，S？Cl相互作用和C-H？S氢键进一步构建为3D网络结构。在2-300 K的温度范围内对1-3的磁化率测量结果表明，总体磁行为表明存在反铁磁相互作用，而3在高温区域（HT）与居里尾巴一起表现出激活的磁行为。低温区域（LT）。

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