Thermal characterization and theoretical and experimental comparison of picryl chloride derivatives of heterocyclic energetic compounds


Yigiter A. O., Atakol M. K., Aksu M. L., ATAKOL O.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, cilt.127, sa.3, ss.2199-2213, 2017 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 127 Sayı: 3
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1007/s10973-016-5766-2
  • Dergi Adı: JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2199-2213
  • Anahtar Kelimeler: Nitrogen-rich energetic materials, Picryl chloride, TG, DSC, Theoretical calculation, Heat of formation, CONDENSED-PHASE HEAT, DECOMPOSITION, PREDICTION
  • Ankara Üniversitesi Adresli: Evet

Özet

There were 10 nitrogen-rich energetic compounds prepared by the reaction of 2,4,6-trinitrochlorobenzen (picryl chloride) with pyrazole, 1,2,4-triazole, imidazole, 3-aminopyrazole, 3-nitropyrazole, 3-amino-1,2,4-triazole, 3-nitro-1,2,4-triazole, 3,5-diamino-1,2,4-triazole and guanidine. These compounds were characterized with IR spectra, elemental analysis and H-1 NMR and C-13 NMR methods. They were also examined with thermogravimetry and differential thermal analyses. The heat generated after the explosion was measured by the use of differential scanning calorimetry. The formation enthalpies of some of the products synthesized were determined by the use of Gaussian 09 software, and probable products were estimated from the data reported in the literature. Finally, theoretical explosion energies of these compounds were calculated using the theoretical formation enthalpies and compared with experimental data.