固体火箭技术2022，Vol.45Issue(3)：378-384,7.DOI:10.7673/j.issn.1006-2793.2022.03.008
一种新型含能化合物2,3,5,6-四硝基-4H,9H-二吡唑并[1,5-a:5',1'-d][1,3,5]三嗪钾盐
A novel energetic potassium salt of 2,3,5,6-tetranitro-4H,9H-dipyrazolo [ 1,5-a:5',1'-d] [ 1,3,5] triazinane:Synthesis, crystal structure and performance①
摘要
Abstract
A novel energetic potassium salt 2,3,5,6-tetranitro-4H,9H-dipyrazolo [1,5-a:5',1'-d][1,3,5] triazinane (KTNDPT) was synthesized using sodium 4-amino-3,5-dinitropyrazolate as raw material, and structurally characterized by elemental analysis, IR spectra, 1 H NMR, 13 C NMR. The single crystal of KTNDPT was obtained and analyzed by single-crystal X-ray diffraction. The thermal behavior of KTNDPT was studied by DSC-TG method. Solid phase formation heat and density were calculated by Gaussian 09 program and Trouton′s rule, and the physicochemical detonation properties of AFTF were predicted by means of EXPLO5 detonation software. The results show that the crystal of KTNDPT·H2O belongs to a monoclinic system and space group P21/n with cell parameters:a=8.330(15), b=9.869(17), c=16.61(3)?,β=102.04(3)°, V=1335(4) ?3, Z=4, Dc=1.966 g/cm3, F(000)= 792,μ=0.480 mm-1, S=1.040, the final R=0.1541 and wR(I> 2σ(I))=0.3779. DSC-TG analysis shows that the decomposition peak temperature of KTNDPT is 241.6 ℃.The heat of formation is 331.6 kJ/mol, detonation velocity is 8647 m·s-1 and detonation pressure is 32.0 GPa. As an energetic ion potassium salt, KT-NDPT with excellent detonation performance is expected to use in high energy propellants.关键词
2,3,5,6-四硝基-4H,9H-二吡唑并[1,5-a:5',1'-d][1,3,5]三嗪钾盐/含能离子盐/爆轰性能/晶体结构Key words
potassium salt of 2,3,5,6-tetranitro-4H,9H-dipyrazolo[1,5-a:5',1'-d][1,3,5]triazinane/energetic ion salt/detonation performance/crystal structure分类
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霍欢,张俊林,毕福强,李祥志,栾洁玉,王伯周..一种新型含能化合物2,3,5,6-四硝基-4H,9H-二吡唑并[1,5-a:5',1'-d][1,3,5]三嗪钾盐[J].固体火箭技术,2022,45(3):378-384,7.基金项目
Financially supported by the National Natural Science Foundation of China(No.21805224). （No.21805224）
