...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >New Nitriminotetrazoles - Synthesis, Structures and Characterization
【24h】

New Nitriminotetrazoles - Synthesis, Structures and Characterization

机译：新的亚硝胺四唑-合成，结构与表征

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The reactions of 5-nitriminotetrazole (4) with 1-methyl-5-aminotetrazole (2) as well its 2-methyl-5-aminotetrazole (3) were investigated, In the First reaction 2 was protonated yielding 1-methyl-5-aminotetrazolium 5-nitrimino-1 H-tetrazolate monohydrate (7). In the latter case no protonation could be observed and a co-crystallization of 5-nitraminotetrazole and 2-methyl-5-aminotetrazole was obtained. In this compound a new tautomer of 4 Could be found. Both products were determined by low temperature single crystal X-ray diffraction, IR, Raman and multinuclear (H-1, C-13, N-15) NMR spectroscopy, elemental analysis as well its differential scanning calorimetry. In addition the heats of formation were calculated using experimentally obtained heats of combustion. With these and the X-ray densities several detonation parameter were computed using the EXPLO5 software. In addition the sensitivities towards impact, friction and electrostatic discharge were determined. Further, two crystal structures of the important starting materials in energetic research 5-nitriminotetrazole monohydrate (4 center dot H2O) and 1-methyl-5-nitriminotetrazolemonohydrate (5 center dot H2O) are presented and compared with the water-free compounds. The heats of formation of 4, 4 center dot H2O, 5, 5 center dot H2O have been calculated by the atomization method using the CBS basis set. Inclusion of crystal water decrease heats of formation about 265 kJ mol(-1). Also the influence of crystal water on sensitivities (impact, friction, electrostatic discharge) but also performance is discussed.
机译：研究了5-硝基氨基四唑（4）与1-甲基-5-氨基四唑（2）以及其2-甲基-5-氨基四唑（3）的反应，在第一反应2中，质子化生成了1-甲基-5-氨基四唑5-nitrimino-1 H-四唑一水合物（7）。在后一种情况下，没有观察到质子化，并且获得了5-硝基氨基四唑和2-甲基-5-氨基四唑的共结晶。在该化合物中，可以发现新的互变异构体4。两种产品均通过低温单晶X射线衍射，IR，拉曼光谱和多核（H-1，C-13，N-15）NMR光谱，元素分析以及差示扫描量热法测定。另外，使用实验获得的燃烧热来计算地层热。利用EXPLO5软件，利用这些和X射线密度计算了几个爆轰参数。此外，还确定了对冲击，摩擦和静电放电的敏感性。此外，提出了高能研究的重要原料的两种晶体结构，即5-水合三硝基氨基四唑（4个中心点H2O）和1-水合的5-甲基-三氮杂四唑（5个中心点H2O），并与无水化合物进行了比较。已经使用CBS基组通过雾化方法计算了4、4个中心点H 2 O，5、5个中心点H 2 O的形成热。包含结晶水可减少约265 kJ mol（-1）的形成热。还讨论了结晶水对灵敏度（冲击，摩擦，静电放电）以及性能的影响。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号