Jump to main content
Jump to site search


1,3,4-oxadiazole Based Thermostable Energetic Materials: Synthesis and Structure-Property Relationship

Abstract

The increasing demands from both military and civilian application inspired us to explore novel energetic materials with improved safety and energetic performance. Here a class of C-C bonds bridged polyazole energetic materials (based on 1,3,4-oxadiazole bridged polynitropyrazoles) was synthesized and fully characterized. Quantum computation (two-dimensional (2D)-fingerprint and relevant Hirshfeld surfaces) was performed to study the correlations between structures and physicochemical properties. Additionally, their energetic properties including detonation velocity, detonation pressure, sensitivity as well as thermal stability were fully characterized. Of these, compounds 3a and 3b possess excellent thermal stability (3a: Tdec = 338 °C; 3b: Tdec = 368 °C), desirable sensitivity (IS > 40 J, FS > 360 N) and higher energetic properties (3a: Dv = 8099 m s-1, P = 27.14 GPa; 3b: Dv = 8054 m s-1, P = 26.53 Gpa) than hexanitrostilbene (HNS) (a typical heat resistant explosive: Tdec = 318 °C; Dv = 7612 m s-1, P = 24.30 GPa; IS = 5 J, FS = 240 N). Compound 6b exhibits high decomposition temperature (Tdec = 265 °C), low sensitivity (IS = 30 J; FS = 360 N) and comparable detonation properties (Dv = 8710 m s-1, P = 32.75 Gpa) to RDX. Considering their desirable energetic properties, they could be applied in different classes of energetic materials such as heat resistant explosives (3a, 3b) and secondary explosive (6b), respectively.

Back to tab navigation

Supplementary files

Article information


Submitted
30 Jan 2020
Accepted
25 Mar 2020
First published
26 Mar 2020

New J. Chem., 2020, Accepted Manuscript
Article type
Paper

1,3,4-oxadiazole Based Thermostable Energetic Materials: Synthesis and Structure-Property Relationship

T. Yan, G. Cheng and H. Yang, New J. Chem., 2020, Accepted Manuscript , DOI: 10.1039/D0NJ00518E

Social activity

Search articles by author

Spotlight

Advertisements