1,3,5-Tris[(2H-tetrazol-5-yl)methyl]isocyanurate and Its Tricationic Salts as Thermostable and Insensitive Energetic Materials DOI
Parasar Kumar, Vikas D. Ghule, Srinivas Dharavath

и другие.

Organic Letters, Год журнала: 2022, Номер 24(19), С. 3555 - 3559

Опубликована: Май 6, 2022

Various energetic salts (3a-f) were obtained from 1,3,5-tris[(2H-tetrazol-5-yl)methyl]isocyanurate (3), while N2,N4,N6-tri(1H-tetrazol-5-yl)-1,3,5-triazine-2,4,6-triamine (5) and N,N'-{6-[(1H-tetrazol-5-yl)amino]-1,3,5-triazine-2,4-diyl}bis[N-(1H-tetrazol-5-yl)nitramide] (6) cyanuric chloride via a simple, efficient two-step synthetic route inexpensive starting materials. Compounds 3a-f 6 show excellent detonation properties (VOD = 7876-8832 m s-1, DP 20.73-30.0 GPa), high nitrogen content (>62%), positive heats of formation (205.2-1888.9 kJ mol-1) with thermostability remarkable insensitivity.

Язык: Английский

Modern trends in “Green” primary energetic materials DOI

Darren Herweyer,

Jaclyn L. Brusso, Muralee Murugesu

и другие.

New Journal of Chemistry, Год журнала: 2021, Номер 45(23), С. 10150 - 10159

Опубликована: Янв. 1, 2021

The evergrowing demand for cleaner, high-performing energetic materials (EMs) has led to a quest replacement of currently used toxic metal-based traditional compounds such as lead azide and styphnate.

Язык: Английский

Процитировано

51

Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials DOI
Yue Zheng,

Xiujuan Qi,

Sitong Chen

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2021, Номер 13(24), С. 28390 - 28397

Опубликована: Июнь 9, 2021

The development of energetic materials with high energy and low sensitivity has attracted immense interests due to their widespread applications in aerospace technology national defense. In this work, a promising self-assembly strategy was developed prepare three high-energy (1–3) through the introduction oxidant molecules into crystal voids parent materials. structures these new were comprehensively examined by infrared spectroscopy, nuclear magnetic resonance (NMR) single-crystal X-ray diffraction. materials, unique layer hcb, sql, interrupted sql topologies observed, which formed fused-ring-based components. Windows hexagonal, square, rectangular observed within structures, occupied H2O2, NO3–, ClO4–, respectively. Oxidant interacted via hydrogen bonds form Moreover, property estimated computing methods. calculation results revealed that exhibit excellent properties. highest performance for compound 3. detonation velocity, pressure, specific impulse values up 9339 m·s–1, 42.5 GPa, 308 s, respectively, greater than those HMX. Furthermore, exhibited good sensitivity, closely related structures. indicated should be method novel

Язык: Английский

Процитировано

46

A facile strategy for synthesizing promising pyrazole-fused energetic compounds DOI

Caijin Lei,

Guangbin Cheng, Zhenxin Yi

и другие.

Chemical Engineering Journal, Год журнала: 2021, Номер 416, С. 129190 - 129190

Опубликована: Март 2, 2021

Язык: Английский

Процитировано

43

Machine Learning-Assisted High-Throughput Virtual Screening for On-Demand Customization of Advanced Energetic Materials DOI Creative Commons
Siwei Song, Yi Wang, Fang Chen

и другие.

Engineering, Год журнала: 2022, Номер 10, С. 99 - 109

Опубликована: Фев. 24, 2022

Finding energetic materials with tailored properties is always a significant challenge due to low research efficiency in trial and error. Herein, methodology combining domain knowledge, machine learning algorithm, experiments presented for accelerating the discovery of novel materials. A high-throughput virtual screening (HTVS) system integrating on-demand molecular generation models covering prediction crystal packing mode scoring established. With proposed HTVS system, candidate molecules promising desirable are rapidly targeted from generated space containing 25 112 molecules. Furthermore, study structure shows that good comprehensive performances target molecule agreement predicted results, thus verifying effectiveness methodology. This work demonstrates new paradigm discovering can be extended other organic without manifest obstacles.

Язык: Английский

Процитировано

32

1,3,5-Tris[(2H-tetrazol-5-yl)methyl]isocyanurate and Its Tricationic Salts as Thermostable and Insensitive Energetic Materials DOI
Parasar Kumar, Vikas D. Ghule, Srinivas Dharavath

и другие.

Organic Letters, Год журнала: 2022, Номер 24(19), С. 3555 - 3559

Опубликована: Май 6, 2022

Various energetic salts (3a-f) were obtained from 1,3,5-tris[(2H-tetrazol-5-yl)methyl]isocyanurate (3), while N2,N4,N6-tri(1H-tetrazol-5-yl)-1,3,5-triazine-2,4,6-triamine (5) and N,N'-{6-[(1H-tetrazol-5-yl)amino]-1,3,5-triazine-2,4-diyl}bis[N-(1H-tetrazol-5-yl)nitramide] (6) cyanuric chloride via a simple, efficient two-step synthetic route inexpensive starting materials. Compounds 3a-f 6 show excellent detonation properties (VOD = 7876-8832 m s-1, DP 20.73-30.0 GPa), high nitrogen content (>62%), positive heats of formation (205.2-1888.9 kJ mol-1) with thermostability remarkable insensitivity.

Язык: Английский

Процитировано

30