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Synthesis, Crystal Structure and Catalytic Performance of a novel Five-Coordinated Energetic Copper(II) Compound
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-05-26 , DOI: 10.1002/zaac.202100106 Da-Wei Ren 1 , Meng-Sen Wei 1 , Jia-Hui Shi 1 , Bidong Wu 2 , Ying Li 3 , Jing-Yu Wang 1
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-05-26 , DOI: 10.1002/zaac.202100106 Da-Wei Ren 1 , Meng-Sen Wei 1 , Jia-Hui Shi 1 , Bidong Wu 2 , Ying Li 3 , Jing-Yu Wang 1
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Energetic copper (II) compound was synthesized based on 2,4,6-trinitrobenzoic acid (TNBA) and imidazole (IMI), which characterized by elemental analysis and FT-IR characterization. Single-crystal X-ray diffraction analysis revealed that [Cu(IMI)2(H2O)(TNBA)2] (1) belongs to monoclinic, pertains to P21/c space group, β=95.230(2)° and Dc=1.790 g cm−3. The five bonds formed by the central copper atom are derived from the two oxygen atoms and nitrogen atoms in the two TNBA and IMI ligands, and the oxygen atom in the water molecule, which present a novel five-coordination model and a unique pyramid structure and show a typical single tooth coordination pattern. Catalytic effects on the thermal decomposition of ammonium perchlorate (AP), RDX and HMX of complexe 1 were investigated in detail by employing the DSC technique. Complex 1 shows an outstanding catalytic activity. The non-isothermal kinetics parameters were calculated by the Kissinger's, Ozawa's and Starink's method, respectively. In the end, impact sensitivity was also determined by standard method. All the experimental data results supported the potential applications of the energetic complexes as additives of solid rocket propellants.
中文翻译：
新型五配位高能铜(II)化合物的合成、晶体结构及催化性能
以2,4,6-三硝基苯甲酸(TNBA)和咪唑(IMI)为原料合成了高能铜(II)化合物，并对其进行了元素分析和FT-IR表征。单晶X射线衍射分析表明[Cu(IMI) 2 (H 2 O)(TNBA) 2 ] ( 1 ) 属于单斜晶系, 属于P2 1 /c空间群, β =95.230(2)°和D c =1.790 g cm -3. 中心铜原子形成的五键来源于两个TNBA和IMI配体中的两个氧原子和氮原子，以及水分子中的氧原子，呈现出新颖的五配位模型和独特的金字塔结构和显示典型的单齿协调模式。采用DSC技术详细研究了配合物1对高氯酸铵(AP)、RDX和HMX热分解的催化作用。复合体1表现出优异的催化活性。非等温动力学参数分别通过 Kissinger's、Ozawa's 和 Starink's 方法计算。最后，冲击敏感性也通过标准方法确定。所有的实验数据结果都支持了高能配合物作为固体火箭推进剂添加剂的潜在应用。
更新日期：2021-05-26
中文翻译：
新型五配位高能铜(II)化合物的合成、晶体结构及催化性能
以2,4,6-三硝基苯甲酸(TNBA)和咪唑(IMI)为原料合成了高能铜(II)化合物，并对其进行了元素分析和FT-IR表征。单晶X射线衍射分析表明[Cu(IMI) 2 (H 2 O)(TNBA) 2 ] ( 1 ) 属于单斜晶系, 属于P2 1 /c空间群, β =95.230(2)°和D c =1.790 g cm -3. 中心铜原子形成的五键来源于两个TNBA和IMI配体中的两个氧原子和氮原子，以及水分子中的氧原子，呈现出新颖的五配位模型和独特的金字塔结构和显示典型的单齿协调模式。采用DSC技术详细研究了配合物1对高氯酸铵(AP)、RDX和HMX热分解的催化作用。复合体1表现出优异的催化活性。非等温动力学参数分别通过 Kissinger's、Ozawa's 和 Starink's 方法计算。最后，冲击敏感性也通过标准方法确定。所有的实验数据结果都支持了高能配合物作为固体火箭推进剂添加剂的潜在应用。
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