The Structural Chemistry of Energetic Compounds.

Abstract

This report summarizes the ivestigation of the molecular structure of a number of energetic materials or their precursors which are potentially useful in explosive or propellant formulation. The aims of this research are to determine or corroborate the exact chemical structure of newly developed materials, and to develop a library of structural parameters for groups occurring in energetic compounds. These structural parameters provide a basis for computationally modelling proposed target compounds by means of quantum chemistry and conformational energy analysis. Specific application is made in this report to the energy analyses of two proposed polynitro cage compounds, octanitrocubane and 2,4,6,8,9,10-hexanitrohexa-aza-adamantane. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Jul 06, 1984
Accession Number
ADA143955

Entities

People

  • C. George
  • J. Karle
  • R. Gilardi

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Air Platforms
  • C4I
  • Space
  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Biological Sciences
  • Chemistry
  • Crystal Structure
  • Diffraction
  • Energetic Materials
  • Engineering
  • Explosives
  • Geometry
  • Military Research
  • Munitions
  • Physics Laboratories
  • Propellants
  • Quantum Chemistry
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Quantum Chemistry
  • Rocket Propulsion.

Technology Areas

  • Quantum Computing