Towards improved explosives with a high performance: N-(3, 5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts. Issue 4 (6th January 2017)

• Record Type: Journal Article
• Authors: Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming
• Is Part Of: Journal of materials chemistry. Volume 5:Issue 4(2017)
• Page Start: 1769
• Page End: 1777
• Publication Date: 2017-01-06
• Subjects: Materials -- Research -- Periodicals; Chemistry, Analytic -- Periodicals; Environmental sciences -- Research -- Periodicals; 543.0284
• DOI: 10.1039/c6ta07740d
• Languages: English
• ISSNs: 2050-7488

Abstract

Abstract : To reach the long-term, strongly desired goal of high energy density materials (HEDM), a novel N -bridged structure of N -(3, 5-dinitro-1 H -pyrazol-4-yl)-1 H -tetrazol-5-amine, and its selected nitrogen-rich energetic salts are designed and synthesized. Abstract : To reach the long-term, strongly desired goal of high energy density materials (HEDM), a novel N -bridged structure of N -(3, 5-dinitro-1 H -pyrazol-4-yl)-1 H -tetrazol-5-amine, and its selected nitrogen-rich energetic salts are designed and synthesized. All compounds are fully characterized by 1 H and 13 C NMR (in some cases, 15 N NMR) spectroscopy, IR spectroscopy, HRMS and elemental analysis. Of these, salts6 ·H2 O and10 are further confirmed by single-crystal X-ray diffraction. The densities of these compounds ranged from 1.67 to 1.86 g cm −3 . All energetic salts exhibit excellent thermal stabilities with decomposition temperatures ranging from 216 to 299 °C and all are insensitive to impact. Decomposition of these thermally stable compounds (salts2, 3, and4 ) occurs at 299, 296, and 290 °C, respectively. Theoretical performance calculations (Gaussian 03 and EXPLO5 v6.01) provide detonation pressures and velocities for the energetic salts in the ranges 25.9–37.4 GPa and 8264–9364 m s −1, respectively; six of the energetic compounds have detonation velocities >9000 m s −1 . Notably, the unique overall performance of salt4 thus exceeds those of commonly used explosives such as HMX. Thus, due to its insensitivity (IS > 40 J, FS = 360 N), fairly high detonation velocity ( v D = 9364 m s −1 ), exceptional thermal stability ( T d = 290 °C), and high nitrogen content ( N = 56.4%), salt4 is a prospective candidate for a new class of insensitive, highly energetic explosives.