School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100081, China.
Yangtz Delta Region Academy of Beijing Institute of Technology, Jiaxing 314019, China.
Chem Commun (Camb). 2023 Feb 14;59(14):1939-1942. doi: 10.1039/d2cc07077d.
Density is an important property of energetic materials and is believed to increase with the addition of heavy trinitromethyl groups, as shown in previous literature. However, this study determined that the introduction of these groups produced a decrease in density, as evidenced by the lower density of 1-trinitromethyl-4-amino-3,5-dinitropyrazole ((TN-116), 1.899 g cm) compared to that of its precursor (4-amino-3,5-dinitropyrazole (LLM-116), 1.900 g cm). Mechanistic studies indicated that the reduced density was due to the significantly weaker H-bonding and π-π interactions of TN-116, which produced looser stacking compared to that of LLM-116.
密度是高能材料的一个重要性质，据以往文献报道，密度会随着三硝基甲基基团的增加而增加。然而，本研究表明，引入这些基团会导致密度降低，这一点可以从 1-三硝基甲基-4-氨基-3,5-二硝基吡唑（(TN-116）的密度（1.899 g cm）低于其前体（4-氨基-3,5-二硝基吡唑（LLM-116）的密度（1.900 g cm）得到证实。机理研究表明，密度降低是由于 TN-116 中氢键和π-π相互作用显著减弱，导致与 LLM-116 相比，堆积更为松散。
