Structure-Impact Sensitivity Relation of Certain Explosive Compounds

TÜRKER B. L.

JOURNAL OF ENERGETIC MATERIALS, vol.27, no.2, pp.94-109, 2009 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 27 Issue: 2
  • Publication Date: 2009
  • Doi Number: 10.1080/07370650802405182
  • Journal Name: JOURNAL OF ENERGETIC MATERIALS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.94-109
  • Keywords: explosives, impact sensitivity, polynitro benzenes, structure-activity relationship, topology
  • Middle East Technical University Affiliated: Yes

Abstract

A theoretical model is developed within the Huckel molecular orbital theory for the structure-impact sensitivity relation of some explosive compounds. The model considers some topological properties of a given molecule as well as the number of certain substituents. Also, a regression equation has been obtained for polynitrobenzenes having a high degree of significance. In light of the equations developed, effects of factors on impact sensitivity are discussed.