5,5′‐Bis(2,4,6‐trinitrophenyl)‐2,2′‐bi(1,3,4‐oxadiazole) (TKX‐55): Thermally Stable Explosive with Outstanding Properties

Abstract

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 (1H, 13C) 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.

Document Details

Document Type
Pub Defense Publication
Publication Date
Mar 08, 2016
Source ID
10.1002/cplu.201600078

Entities

People

  • Thomas M. Klapötke
  • Tomasz G. Witkowski

Organizations

  • German Academic Exchange Service
  • Ludwig-Maximilians-Universität München
  • Office of Naval Research

Tags

Fields of Study

  • Chemistry

Readers

  • Combustion Dynamics and Shock Wave Physics.
  • Organic Chemistry
  • Polymer Science and Engineering.