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5,5′‐Bis(2,4,6‐trinitrophenyl)‐2,2′‐bi(1,3,4‐oxadiazole) (TKX‐55): Thermally Stable Explosive with Outstanding Properties
Author(s) -
Klapötke Thomas M.,
Witkowski Tomasz G.
Publication year - 2016
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201600078
Subject(s) - detonation , explosive material , detonation velocity , reactivity (psychology) , energetic material , raman spectroscopy , thermal decomposition , decomposition , chemistry , enthalpy , single crystal , materials science , analytical chemistry (journal) , thermodynamics , organic chemistry , crystallography , medicine , alternative medicine , physics , pathology , optics
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 ( 1 H, 13 C) 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.