三环
化学
戒指(化学)
理论(学习稳定性)
计算化学
组合化学
立体化学
有机化学
计算机科学
机器学习
作者
Gan Jin,Caijin Lei,Guangbin Cheng,Jie Tang,Hongwei Yang
标识
DOI:10.1021/acs.orglett.5c01641
摘要
Although dinitroimino compounds I-V exhibit excellent detonation performance, their poor stability (Td < 200 °C) limits their applications. In this study, a novel tricyclic fused skeleton was obtained using a rare one-pot strategy involving a condensation, a cyclization, and an intramolecular cyclization. Dinitroimino derivative 5 demonstrates superior detonation performance (Dv = 9023 m s-1, and P = 33.9 GPa) and improved stability (Td = 235 °C) compared to those of reported dinitroimino compounds I-V and RDX (Td = 204 °C).
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