A 1:1 ENERGETIC CO-CRYSTAL FORMED BETWEEN TRINITROTOLUENE AND 2,3-DIAMINOTOLUENE


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Sen N.

MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING, vol.37, no.1, pp.61-69, 2018 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 37 Issue: 1
  • Publication Date: 2018
  • Doi Number: 10.20450/mjcce.2018.1421
  • Journal Name: MACEDONIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.61-69
  • Police Academy Affiliated: No

Abstract

A 1:1 co-crystal of trinitrotoluene (TNT) and 2,3-diaminotoluene was prepared by solvent evaporation, and the structure of the co-crystal was determined by single-crystal and powder X-ray diffraction. The results indicate that the main mechanism of co-crystallization originates from the intermolecular hydrogen bonding (amino-nitro) and pi-pi stacking. We also examined the Hirshfeld surfaces and associated fingerprint plots of the co-crystal and reveal that the structures are stabilized by H center dot center dot center dot H, O-H, O center dot center dot center dot O and C center dot center dot center dot C (pi-pi) intermolecular interactions. We analyzed the crystal packing and show its influence upon impact sensitivity. The results highlight that co-crystallization is an effective way to modify the sensitivity, oxygen balance and density of explosives.