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Crystal Structure and Properties of an Energetic Perchlorate Complex Compound with Copper and Cytosine
Propellants, Explosives, Pyrotechnics ( IF 1.8 ) Pub Date : 2021-03-01 , DOI: 10.1002/prep.202000304
Rafał Lewczuk 1 , Judyta Rećko 2 , Sławomir Wojtulewski 3
Affiliation  

A coordination compound from copper(II) perchlorate with cytosine was synthesized. The molecule contains copper(II) cation, four cytosine ligands, and two perchlorate anions. The single crystals of the compound were grown from the methanol solution. The crystal structure was determined by single‐crystal X‐ray diffraction. The compound crystallizes in the orthorhombic system (Pbcn space group) with crystal parameters: a=19.454(2) Å, b=10.185(2) Å, c=13.604(1) Å, V=2695.83(5) Å3, Z=4, and F(000)=1508 as a solvate with one methanol molecule in the asymmetric unit. It was characterized with elemental analysis, differential scanning calorimetry (temperature of decomposition – 270.1 °C), differential thermal analysis, infrared spectroscopy. Small‐scale safety testing was done to determine the impact and friction sensitivity. The title compound has sensitivity typical to secondary explosives (7.5 J, 230 N). Measured density and enthalpy of formation were used to calculate detonation parameters. With detonation velocity and pressure of 6132 m/s and 14.6 GPa, respectively, it has the moderate performance.

中文翻译:

高能高氯酸盐与铜和胞嘧啶络合物的晶体结构和性质

合成了高氯酸铜(II)与胞嘧啶的配位化合物。该分子包含铜(II)阳离子,四个胞嘧啶配体和两个高氯酸根阴离子。从甲醇溶液中生长出化合物的单晶。晶体结构是通过单晶X射线衍射确定的。该化合物在正交晶系(结晶Pbcn空间群)与晶体参数:a = 19.454(2)A,B = 10.185(2)A,C = 13.604(1)埃,V = 2695.83(5)3,Z = 4,且F(000)= 1508为在不对称单元中具有一个甲醇分子的溶剂化物。它的特征在于元素分析,差示扫描量热法(分解温度– 270.1°C),差示热分析,红外光谱。进行了小型安全测试,以确定冲击和摩擦敏感性。标题化合物对二次炸药具有典型的敏感性(7.5 J,230 N)。使用测得的密度和形成焓来计算爆轰参数。爆炸速度和压力分别为6132 m / s和14.6 GPa,具有中等性能。
更新日期:2021-05-04
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