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Crystal Structure and Thermal Analysis of 1,4-Di(2,4,6-trinitro-styryl)benzene
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    Abstract:

    The synthesis, culture of crystal and single-crystal X-ray crystallography of a new kind of polynitrostilbene [1,4-di(2,4,6-trinitro-styryl)benzene, TNT-TTD], which was synthesized through Knoevenagel Condensation by using piperidine as a base catalyst were reported. The crystal belongs to the Triclinic system with space group P-1.The compound was characterized by using FT-IR, 1H NMR, 13C NMR and MS spectroscopy techniques. Density functional theory (DFT) B3LYP was employed to optimize structure and calculate frequencies of TNT-TTD. The calculated geometrical parameters were close to the corresponding experiments ones. The thermal decomposition of the title compound was investigated by DSC and TG-DTG methods at heating rate 10 ℃·min-1. The melting point and initial decomposed temperature of TNT-TTD is 302 ℃ and 311 ℃. The results indicate that TNT-TTD has high heat resistant ability.

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刘艳红,张同来,张建国,等.1,4-对二(2,4,6-三硝基苯乙烯基)苯的合成、结构和性能(英)[J].含能材料,2006,14(5):367-373.
LIU Yan-hong, ZHANG Tong-lai, ZHANG Jian-guo, et al. Crystal Structure and Thermal Analysis of 1,4-Di(2,4,6-trinitro-styryl)benzene[J]. Chinese Journal of Energetic Materials,2006,14(5):367-373.

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History
  • Received:March 31,2006
  • Revised:
  • Adopted:
  • Online: November 04,2011
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