Lechner Jasmin T, Riedelsheimer Christian, Endraß Simon M J, Gerold Nina M, Heidrich Jennifer, Krumm Burkhard, Stierstorfer Jörg, Klapötke Thomas M
Department of Chemistry, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13 (D), 81377, Munich, Germany.
EMTO GmbH - Energetic Materials Technology, Munich, Germany.
Chemistry. 2024 Jan 2;30(1):e202303021. doi: 10.1002/chem.202303021. Epub 2023 Nov 9.
Numerous nitramine bridged compounds which show promising combinations of properties have already been identified in the area of energetic materials. In this work, four new nitrazapropane bridged tetrazoles, as well as four new trinitrazaheptane tetrazoles and three oxapropane bridged tetrazoles were synthesized and fully characterized. These new compounds can all be synthesized by a simple, one-step synthesis using Finkelstein conditions. All of these new energetic materials were characterized using NMR spectroscopy, single crystal X-ray diffraction, vibrational analysis and elemental analysis. The thermal behaviour of these compounds was studied by differential thermal analysis (DTA) and partly by thermogravimetric analysis (TGA). The BAM standard method was used to determine the sensitivities towards impact (IS) and friction (FS). The enthalpies of formation were calculated at the CBS-4M level, and the energetic performances were calculated using the EXPLO5 (V6.06.01) computer code. The properties of the new compounds were compared to each other as well as to the known energetic material RDX. Moreover, the iron(II) and copper(II) perchlorate complexes with 1,3-bis-1,1-tetrazolylnitrazapropane as ligand were prepared and investigated.
在含能材料领域,已经鉴定出许多具有良好性能组合的硝胺桥连化合物。在这项工作中,合成了四种新型硝杂丙烷桥连四唑、四种新型三硝杂庚烷四唑和三种氧杂丙烷桥连四唑,并对其进行了全面表征。所有这些新化合物都可以通过使用芬克尔斯坦条件的简单一步合成法来合成。所有这些新型含能材料都通过核磁共振光谱、单晶X射线衍射、振动分析和元素分析进行了表征。通过差示热分析(DTA)并部分通过热重分析(TGA)研究了这些化合物的热行为。采用BAM标准方法测定了对冲击(IS)和摩擦(FS)的敏感度。在CBS - 4M水平上计算了生成焓,并使用EXPLO5(V6.06.01)计算机代码计算了能量性能。将新化合物的性能相互比较,并与已知含能材料RDX进行了比较。此外,还制备并研究了以1,3 - 双 - 1,1 - 四唑基硝杂丙烷为配体的高氯酸铁(II)和铜(II)配合物。