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Crystallographic study of the energetic salt 1,2,4‐triazolium perchlorate
Acta Crystallographica Section C ( IF 0.8 ) Pub Date : 2021-04-08 , DOI: 10.1107/s2053229621003260
Mieko Kumasaki , Saori Gontani , Kanae Mori , Shinya Matsumoto , Kazuki Inoue

The molecular and crystal structure of 1H‐1,2,4‐triazolium perchlorate, C2H4N3+·ClO4, was determined as detailed crystallographic data had not been available previously. The structure has monoclinic (P21/m) symmetry. It is of interest in the field of energetic compounds because nitrogen‐rich azoles are the backbone of high‐density energetic compounds, and salt‐based energetic materials can exhibit preferential energy‐release behaviour. The bond angles of the 1,2,4‐triazolium cation in this study were similar to those of a cationic triazole ring reported previously and were different from those of the neutral triazole ring. This study contributes to the available data that can be used to analyse the relationship between the structures and properties of energetic materials.

中文翻译:

高能盐1,2,4-三唑鎓高氯酸盐的晶体学研究

1个的分子和晶体结构ħ -1,2,4-三唑鎓高氯酸盐,C 2 H ^ 4 Ñ 3 + ·CLO 4 - ,被确定为详述晶体学数据一直没可用先前。结构具有单斜(P 2 1 / m)对称。含氮唑类是高密度含能化合物的骨干,而盐基含能材料可表现出优先的能量释放性能,因此在含能化合物领域中引起了人们的兴趣。在这项研究中,1,2,4-三唑鎓阳离子的键角与先前报道的阳离子三唑环的键角相似,并且与中性三唑环的键角不同。这项研究为可用于分析含能材料的结构与性质之间的关系的可用数据做出了贡献。
更新日期:2021-05-05
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