含能配合物[Zn(CHZ)_3](ClO_4)_2的晶体结构、热行为及感度性能研究

Crystal Structure,Thermal Analysis and Sensitivity Property of [Zn(CHZ)_3](ClO_4)_2

通过碳酰肼水溶液与高氯酸锌水溶液反应制得含能配合物[Zn(CHZ)3](ClO4)2.培养获得了配合物的单晶,用X射线单晶衍射法测定了晶体结构,该晶体属于单斜晶系、P2(1)/n空间群,晶胞参数a=1.0005(2)nm,b=0.8428(1)nm,c=2.1218(4)nm,β=100.948(3)°,V=1.7566(5)nm3,Dc=2.021 g/cm3,Z=4,F(000)=1088,R1=0.0341,ωR2=0.0729.该配合物分子式为[Zn(CHZ)3](ClO4)2,CHZ分子配体通过羰基O原子和端位N原子与锌离子形成配位键,构成稳定的五元环结构.差示扫描量热(DSC)分析和热重-微分热重(TG-DTG)分析结果表明,[Zn(CHZ)3](ClO4)2在270℃以下无分解反应,耐热性好;在280～340℃之间发生剧烈的连续放热分解,具有起爆药的热分解特征.感度性能测试结果表明,Zn(CHZ)3](ClO4)2对撞击、摩擦、火焰等外界刺激不敏感,安全性好.

A new energetic compound [Zn（CHZ）3]（ClO4）2 was synthesized in aqueous solutions of carbo-hydrazide and Zn（ClO4）2.Single crystals suitable for X-ray analysis were obtained.The compound was characterized by differential scanning calorimetry（DSC）,thermal gravimetry-differential thermal gravimetry（TG-DTG） and single crystal X-ray diffraction analysis.The crystal belongs to a monoclinic system with P2（1）/n space group and cell parameters of a=1.0005（2） nm,b=0.8428（1） nm,c=2.1218（4） nm,β=100.948（3）°,V=1.7566（5） nm3,Dc=2.021 g/cm3,Z=4,F（000）=1088,R1=0.0341 and ωR2=0.0729.The Zinc（II） cation is coordinated with carbonyl O atoms and N atoms from carbohydrazide forming a six-coordinated ring structure.[Zn（CHZ）3]（ClO4）2 can resist heat up to 270 ℃.An intense continuous exo-thermic decomposition process occurs in the range of 280～340 ℃.The sensitivity test results reveal that [Zn（CHZ）3]（ClO4）2 was insensitive to impact,friction and flame stimuli.