Performance enhancement strategy for tetrazoles based on nitrogen–boron bonds,Dalton Transactions

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Performance enhancement strategy for tetrazoles based on nitrogen–boron bonds
Dalton Transactions ( IF 3.5 ) Pub Date : 2023-06-26 , DOI: 10.1039/d2dt04050f
Kunkai Wang ₁ , Kaidi Yang ₁ , Heng Li ₁ , Junlin Zhang ₁ , Minjie Wu ₁ , Xiangzhi Li ₁ , Qi Xue ₁ , Bozhou Wang _{1,

2} , Fuqiang Bi _{1,

2}

Affiliation

Based on N–B bonds, a novel strategy was developed for improving the energetic performance of tetrazoles. By employing the amino neighboring group participation, the azolyl borane compound 7 was selectively constructed, which exhibited excellent stability in water and air. This strategy solved the acidity problem of tetrazole as well as increasing the heat of detonation and combustion by 25% and 36%, respectively. Through laser ignition experiments, it also improved the combustion performance of tetrazoles. In DSC experiments, thermal decomposition temperatures of N–B covalent compounds were elevated as well. In an electrostatic potential calculation and sensitivity test, N–B covalent compounds exhibited good sensitivity (IS > 40 J and FS > 360 N). Through TG-DSC-FTIR-MS and in situ IR experiments, decomposition products were investigated to determine the next optimization stage for heat of detonation. It offered a significant potential for development to incorporate the N–B bond into nitrogen-rich compounds.

中文翻译：

基于氮硼键的四唑性能增强策略

基于N-B键，开发了一种提高四唑能量性能的新策略。利用氨基邻基的参与，选择性地构建了唑基硼烷化合物7 ，其在水和空气中表现出优异的稳定性。该策略解决了四唑的酸性问题，并将爆炸热和燃烧热分别提高了 25% 和 36%。通过激光点火实验，还改善了四唑的燃烧性能。在 DSC 实验中，N-B 共价化合物的热分解温度也升高。在静电势计算和灵敏度测试中，N-B共价化合物表现出良好的灵敏度（IS > 40 J和FS > 360 N）。通过 TG-DSC-FTIR-MS 和原位红外实验、分解产物被研究以确定爆炸热的下一个优化阶段。它将 N-B 键结合到富氮化合物中提供了巨大的开发潜力。

更新日期：2023-06-26

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