Journal
CHEMPLUSCHEM
Volume 81, Issue 4, Pages 357-360Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cplu.201600078
Keywords
aromaticity; energetic materials; oxadiazoles; structure elucidation; thermochemistry
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Funding
- Ludwig-Maximilian University of Munich (LMU)
- Office of Naval Research (ONR) [ONR.N00014-16-1-2062]
- Bundeswehr-Wehrtechnische Dienststelle fur Waffen und Munition [WTD 91, E/E91S/FC015/CF049]
- DAAD
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The novel, thermally stable explosive 5,5-bis(2,4,6-trinitro-phenyl)-2,2-bi(1,3,4-oxadiazole) (TKX-55) is reported. This compound can be prepared by means of a facile synthetic procedure and shows outstanding properties (detonation velocity, detonation pressure, sensitivity toward mechanical stimuli, and temperature of decomposition). TKX-55 was isolated and characterized by means of mass spectrometry, multinuclear (H-1, C-13) NMR spectroscopy, and vibrational spectroscopy (IR and Raman). The structure in the crystalline state was determined by low-temperature single-crystal X-ray diffraction. From the calculated standard molar enthalpy of formation (CBS-4M) and the densities, the Chapman-Jouguet detonation properties were predicted by using the EXPLO5 V6.01 thermochemical computer code. The sensitivity of TKX-55 towards impact, friction, and electrostatic discharge was determined. The shock reactivity (explosiveness) of TKX-55 was measured by applying the small-scale shock reactivity test.
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