The High‐Pressure Characterization of Melt‐Castable Energetic Materials: 3,3′‐Bis‐Oxadiazole‐5,5′‐Bis‐Methylene Dinitrate

Abstract

The high‐pressure behavior of 3,3′‐bis‐oxadiazole‐5,5′‐bis‐methylene dinitrate (BODN) was studied at room temperature to 25 GPa by Raman spectroscopy and powder X‐ray diffraction. The Raman spectra, powder patterns, and calculated unit‐cell volumes at selected pressures show qualitative agreement with first‐principles density function theory calculations. Over this pressure range, no evidence of polymorphism was observed which suggests that this energetic material can be formulated without the concern of forming lower‐density phases at elevated pressures. Vibrational measurements suggest a reversible deformation of the C−C linkage between the oxadiazole rings with increased pressure.

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 22, 2018
Source ID
10.1002/prep.201800215

Entities

People

  • Iskander Batyrev
  • Jennifer A Ciezak-Jenkins
  • Jonathan C Bennion

Organizations

  • United States Army Research Laboratory

Tags

Readers

  • Materials Science and Engineering.
  • Organic Chemistry
  • Quantum Chemistry