A promising hydrogen peroxide adduct of ammonium cyclopentazolate as a green propellant component
A promising hydrogen peroxide adduct of ammonium cyclopentazolate as a green propellant component
复制标题
DOI：
10.1039/d0ta03010d
复制
发表时间：
2020-07-07
影响因子：
11.9
通讯作者：
Zhang, Qinghua
中科院分区：
文献类型：
--
作者：
Luo, Jin;Xia, Honglei;Zhang, Qinghua
用一种简单有效的方法合成了一种新的环戊唑铵的H（2）O（2）加合物NH 4 N5中心点1/2 H（2）O（2）。X-射线单晶衍射分析表明，该加成物的不对称单元中含有脱环-N（5）（-）阴离子、铵离子和1/2 H（2）O（2）分子。在该结构中，H（2）O（2）分子嵌入NH 4 N5的晶格中，形成一个有趣的三维网络结构，其中环N（5）（-）离子层层堆叠，NH（4）（+）离子嵌入层间并通过氢键连接层间。这种新型的溶剂合物NH 4 N5中心点1/2 H（2）O（2）具有高的氧平衡（基于CO2为-22.86%）、高的计算爆速和爆压（8938 m·s（-1）和26.37 GPa）以及远高于无水NH 4 N5的令人印象深刻的比冲（259.97 s）。燃烧产物主要为无毒的N-2、H（2）和H2O。这种简单而有效的NH（4）N（5）与H（2）O（2）结合的策略对于未来发展破坏性含能材料的研究是非常可取的。
A novel H(2)O(2)adduct of ammonium cyclopentazolate, NH4N5 center dot 1/2H(2)O(2), was readily synthesized by a simple and effective method. This adduct, as determined by single-crystal X-ray diffraction, has acyclo-N(5)(-)anion, an ammonium ion and 1/2H(2)O(2)molecule in the asymmetric unit. In this structure, H(2)O(2)molecules are incorporated into the crystal lattices of NH4N5, forming an interesting three-dimensional (3D) network structure in whichcyclo-N(5)(-)ions are stacked layer by layer and NH(4)(+)ions are intercalated into the layers and connected the layers through hydrogen bonds. This novel solvate, NH4N5 center dot 1/2H(2)O(2), has a high oxygen balance (-22.86% based on CO2), high calculated detonation velocity and pressure (8938 m s(-1)and 26.37 GPa) and an impressive specific impulse (259.97 s) much higher than that of anhydrous NH4N5. Moreover, the combustion products of this solvate mainly include nontoxic N-2, H(2)and H2O. This simple and effective strategy of combining NH(4)N(5)with H(2)O(2)is highly desirable for future studies on the development of disruptive energetic materials.