| 两个salen型卤代希夫碱Ni(Ⅱ)配合物的合成、晶体结构及Hirshfeld表面分析 |
| Syntheses, Crystal Structures, Hirshfeld Surface Analysis of Two Salen-Type Halogenated Schiff-Base Ni(Ⅱ) Complexes |
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| 摘要: 通过硝酸镍与卤代希夫碱在甲醇溶液中反应，合成了2个Ni（Ⅱ）希夫碱配合物[Ni（3，5-Cl-salcy）]（1）和[Ni（3-Cl-salcy）]（2），（3，5-Cl-salcyH2=N，N′-（±）-双（3，5-二氯水杨基）-1，2-环己二胺； 3-Cl-salcyH2=N，N′-（±）-双（3-氯水杨基）-1，2-环己二胺）。通过X射线衍射测定了2个配合物的结构。结构分析表明2个配合物的基本单元均为Ni（Ⅱ）离子通过与希夫碱配体的[N2O2]原子配位构成相似的平面型单核配合物。Platon软件分析表明配合物1中并不存在任何氢键，配合物2也仅存在非经典氢键。通过Hirshfeld表面分析法对2个配合物晶体结构中弱交换作用的分析结果表明，虽然卤原子构成的氢键相对较弱，但是C-H…X在稳定三维超分子晶体结构中起着非常重要的作用；此外，通过2个配合物的对比发现，配体中卤原子数量的不同对于晶体中弱交换作用的占比可以起到非常重要的影响。 |
| 关键词: 卤代希夫碱 晶体结构 弱交换作用 Hirshfeld表面分析 |
| 基金项目: 国家自然科学基金（No.31760257），云南省科技厅高校联合项目（No.2017FH001-002），昆明学院化学化工类大学生创新实践科学研究项目（No.HXHG1808），高原地区农用塑料薄膜材料与制品研究开发（平台）（No.2016DH006）资助。 |
| Abstract: The reaction between nickel nitrate and halogenated salen-type Schiff-base ligand in methanol solution led to the isolation of two new salen nickel(Ⅱ) complexes[Ni(3,5-Cl-salcy)] (1) and[Ni(3-Cl-salcy)] (2), where 3,5-Cl-salcyH2=N,N'-(±)-bis(3,5-dichlorosalicylidene)cyclohexane-1,2-diamine and 3-Cl-salcyH2=N,N'-(±)-bis(3-chloro-salicylidene)cyclohexane-1,2-diamine. The crystal structures of complexes 1 and 2 were structurally characterized by single-crystal X-ray diffraction. Structural analysis reveals that the basic units of both complexes all consist of one nickel(Ⅱ) ion in[N2O2] coordination sphere, forming similar square planar geometries. PLATON software analysis indicates that there is not any hydrogen bond exists in the crystal structure of 1, and only unclassical hydrogen bonds exist in 2. However, Hirshfeld surface analysis shows that, although the strength of halogen atoms formed hydrogen bonds are weak, the C-H…X bonds play an important role in stabilization of three-dimensional networks of both complexes. Moreover, by comparison of the two complexes, we found that the difference in the number of halogen atoms in the ligand can have a very important influence on the proportion of weak exchange in the crystal. |
| Keywords: halogenated Schiff-base crystal structure weak molecular interactions Hirshfeld surface analysis |
| 投稿时间：2019-02-15 修订日期：2019-06-14 |
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| 吴琼,唐亚芳,资巧丽.两个salen型卤代希夫碱Ni(Ⅱ)配合物的合成、晶体结构及Hirshfeld表面分析[J].无机化学学报,2019,35(8):1477-1484. |
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