Thermal characterization and theoretical and experimental comparison of picryl chloride derivatives of heterocyclic energetic compounds
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- 作者：Aynur Ozler Yigiter ; Melike Kunduracı Atakol…
- 关键词：Nitrogen ; rich energetic materials ; Picryl chloride ; TG ; DSC ; Theoretical calculation ; Heat of formation
- 刊名：Journal of Thermal Analysis and Calorimetry
- 出版年：2017
- 出版时间：March 2017
- 年：2017
- 卷：127
- 期：3
- 页码：2199-2213
- 全文大小：
- 刊物类别：Chemistry and Materials Science
- 刊物主题：Physical Chemistry; Analytical Chemistry; Polymer Sciences; Inorganic Chemistry; Measurement Science and Instrumentation;
- 出版者：Springer Netherlands
- ISSN：1588-2926
- 卷排序：127
文摘
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.