科學足跡出版社供稿：科學足跡出版社(SFP)
期刊 ：Science Advances
期刊 ：科學進展
題目
：Full-nitro-nitroamino cooperative action: Climbing the energy peak of benzenes with enhanced chemical stability
題目 ：全硝基硝胺基協同作用：攀登苯的能量峰，增強化學穩定性
作者 ：Qi Sun, Ning Ding, Chaofeng Zhao, Qi Zhang, Shaowen Zhang, Shenghua Li, Siping Pang
摘要 ：More nitro groups accord benzenes with higher energy but lower chemical stability. Hexanitrobenzene (HNB) with a fully nitrated structure has stood as the energy peak of organic explosives since 1966, but it is very unstable and even decomposes in moist air. To increase the energy limit and strike a balance between energy and chemical stability, we propose an interval full-nitro-nitroamino cooperative strategy to present a new fully nitrated benzene, 1,3,5-trinitro-2,4,6-trinitroaminobenzene (TNTNB), which was synthesized using an acylation-activation-nitration method. TNTNB exhibits a high density (d: 1.995 g cm−3 at 173 K, 1.964 g cm−3 at 298 K) and excellent heat of detonation (Q: 7179 kJ kg−1), which significantly exceed those of HNB (Q: 6993 kJ kg−1) and the state-of-the-art explosive CL-20 (Q: 6534 kJ kg−1); thus, TNTNB represents the new energy peak for organic explosives. Compared to HNB, TNTNB also exhibits enhanced chemical stability in water, acids, and bases.
摘要 ：硝基越多，苯的能量越高，但化學穩定性越低。自1966年以來，具有完全硝化結構的六硝基苯（HNB）一直是有機炸藥的能量峰，但其非常不穩定，甚至在潮濕空氣中分解。為了提高能量極限，平衡能量和化學穩定性，我們提出了區間全硝基硝胺基協同策略，透過酰化-活化-硝化的方法合成了一種新的全硝化苯，1,3,5-三硝基-2,4,6-三硝胺基苯化合物（TNTNB）。TNTNB具有高密度（d：173 K時密度為1.995 g cm−3，298 K時密度為1.964 g cm−3）和極好的爆熱（Q：7179 kJ kg−1），其爆熱大大超過HNB（Q：6993 kJ kg−1）和最先進的炸藥CL-20（Q：6534 kJ kg−1）；因此，TNTNB代表有機炸藥的新能量峰值。與HNB相比，TNTNB在水、酸和堿等溶液中也表現出更強的化學穩定性。
The background of nitro-benzenes and design strategy of TNTNB . (A) Comparison of the number of -NO2 groups, energy (Q: heat of detonation), and stability (chemical stability) of nitrobenzene, TNT, HNB, and TNTNB, respectively. (B) Design of TNTNB through interval full-nitro-nitroamino cooperative action.
硝基苯的背景和TNTNB的設計策略 。（A）分別比較硝基苯、TNT、HNB和TNTNB的-NO2基團數、能量（Q：爆熱）和穩定性（化學穩定性）。（B）透過區間全硝基硝胺基協同作用設計TNTNB。
Chemical stability of HNB and TNTNB with water, acids, and bases, respectively . (A) Chemical stability of HNB. (B) Chemical stability of TNTNB. (C) Single-crystal x-ray structural confirmation of chemical stability of TNTNB with pO, namely, TNTNB·5pO·EtOH and TNTNB·2pO. (D) Single-crystal x-ray structural confirmation of chemical stability of TNTNB with bases, namely, [TNTNB3−][3Np+] (compound 3) and [TNTNB3−][3N2p+] (compound 4).
HNB和TNTNB分別與水、酸和堿的化學穩定性 。（A）HNB的化學穩定性。（B）TNTNB的化學穩定性。（C）TNTNB與pO的化學穩定性的單晶X射線結構確認，即TNTNB·5pO·EtOH和TNTNB·2pO。（D）TNTNB與堿的化學穩定性的單晶X射線結構確認，即[TNTNB3−][3Np+]（化合物3）和[TNTNB3−][3N2p+]（化合物4）。
文獻來源：
https://www. science.org/doi/epdf/10 .1126/sciadv.abn3176
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