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

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Abstract

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 1H NMR and 13C 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.

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Authors and Affiliations

  1. Police Criminal Labratory, Golbasi, Ankara, Turkey

    Aynur Ozler Yigiter

  2. Department of Chemistry, Faculty of Sciences, Ankara University, 06100, Tandogan, Ankara, Turkey

    Melike Kunduracı Atakol & Orhan Atakol

  3. Faculty of Education, Gazi University, Beşevler, Ankara, Turkey

    M. Levent Aksu

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  1. Aynur Ozler Yigiter
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  2. Melike Kunduracı Atakol
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  3. M. Levent Aksu
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  4. Orhan Atakol
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Correspondence to Aynur Ozler Yigiter.

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Yigiter, A.O., Atakol, M.K., Levent Aksu, M. et al. Thermal characterization and theoretical and experimental comparison of picryl chloride derivatives of heterocyclic energetic compounds. J Therm Anal Calorim 127, 2199–2213 (2017). https://doi.org/10.1007/s10973-016-5766-2

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  • DOI: https://doi.org/10.1007/s10973-016-5766-2

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