Six nitroguanidyl-functionalized nitrogen-rich compounds were synthesized and characterized by EA, FT-IR, and NMR. In addition, the crystal structures of ANPTz, CABNG, and FANG were further determined by X-ray single-crystal diffractometer. The thermal decomposition behaviours were studied by the DSC-TG-FTIR-MS coupling technique and the results showed that all the compounds had good thermal stability, among which ANPTz had the best thermal stability (T_d=211.03 °C). Also, HCN, CO₂, H₂O, and NO₂ were released during thermal decomposition process. The self-accelerating decomposition temperature (T_SADT) and thermal explosion critical temperature (T_b) were calculated to evaluate thermal safety, and the relative order was as follows: FANG (T_SADT=198.68 °C, T_b=209.97 °C)> ANPTz (T_SADT=194.12 °C, T_b=208.63 °C)> BANTz (T_SADT=182.52 °C, T_b=207.54 °C)> AANG (T_SADT=180.04 °C, T_b=188.35 °C)> CABNG (T_SADT=176.80 °C, T_b=187.32 °C)> MABNG (T_SADT=173.61 °C, T_b=184.29 °C). The results indicated that FANG had the acceptable sensitivity (IS=7.84 J), good detonation performance (D=8551 m⋅s⁻¹, P=32.33 GPa), and the significant catalytic effect (the decomposition temperature of RDX decreased by 8.31 °C).

中文翻译：

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硝基胍基功能化高能材料的合成、热行为和能量性能

合成了六种硝基胍官能化的富氮化合物，并通过 EA、FT-IR 和 NMR 对其进行了表征。此外，通过X射线单晶衍射仪进一步确定了ANPTz、CABNG和FANG的晶体结构。通过DSC-TG-FTIR-MS耦合技术研究了热分解行为，结果表明所有化合物都具有良好的热稳定性，其中ANPTz的热稳定性最好( T _d =211.03℃)。此外，在热分解过程中会释放出HCN、CO ₂、H ₂ O 和 NO ₂。自加速分解温度（T _SADT）和热爆炸临界温度（T _b)进行热安全性评价，其相对顺序为：FANG ( T _SADT =198.68 °C, T _b =209.97 °C)> ANPTz ( T _SADT =194.12 °C, T _b =208.63 °C)> BANTz ( T _SADT =182.52 °C, T _b =207.54 °C)> AANG ( T _SADT =180.04 °C, T _b =188.35 °C)> CABNG ( T _SADT =176.80 °C, T _b =187.32 °C) > MABNG ( T _SADT = 173.61 °C, T _b=184.29°C）。结果表明，FANG具有可接受的灵敏度（IS =7.84 J），良好的爆轰性能（D =8551 m⋅s ^-1 , P =32.33 GPa），催化效果显着（RDX的分解温度降低8.31° C）。