高级搜索

您是今天第:532位访问者

您是第:8034594位访问者

两种氮杂环硝胺母体的合成及热力学性质
Synthesis and Thermodynamic Properties of Two N-heterocyclic Nitramine Precursors
  • 摘要
  •  
  • 参考文献
  •  
  • 引证文献
  •  
  • 相似文献
中文摘要:
      以2, 3, 5, 6-四氨基吡啶盐酸盐和原甲酸三乙酯为原料,以缩合反应制备了氮杂环硝胺母体1, 5-二氢-二咪唑并[4, 5-b:4′, 5′-e]吡啶,原甲酸三乙酯与2, 3, 5, 6-四氨基吡啶盐酸盐的最优摩尔比为4.5,收率为56.5%;以硫代氨基脲和1, 4-二甲酰基-2, 3, 5, 6-四羟基哌嗪为原料,制备了2, 9-二醛基-5, 13-二硫羰基-2, 4, 6, 7, 9, 11, 12, 14-八氮杂-三环[8.4.0.03, 8]十四烷,硫代氨基脲与1, 4-二甲酰基-2, 3, 5, 6-四羟基哌嗪的最优摩尔比为2.2,收率为46.0%。采用核磁共振、红外光谱、质谱和元素分析表征了它们的结构。运用量子化学密度泛函理论DFT-B3LYP/6-311G(d)方法,对两种氮杂环硝胺母体进行了几何优化和振动频率分析,研究了两种母体在200~800 K内的热力学性质,结果表明,两种氮杂环硝胺母体的标准恒压摩尔热容、标准摩尔熵和标准摩尔焓均随温度升高而增大。
中文关键词: 氮杂环  硝胺母体  合成  热力学性质
英文摘要:
       Using 2, 3, 5, 6-tetraamineopyridine hydrochloride and triethoxy methane as starting materials, N-heterocyclic nitramine precursor 1, 5-2H-diimidazo [4, 5-b:4′, 5′-e] pyridine was prepared by condensation reactions. The optimum molar ratio of triethoxy methane/2, 3, 5, 6-tetraamineopyridine hydrochloride was indentified to be 4.5. The yield was 56.5%. 2, 9-Dialdehyde-5, 13-dithio-2, 4, 6, 7, 9, 11, 12, 14-octaaza-tricyclo[8.4.0.03, 8]tetradecane was synthesized using thiosemicarbazide and 1, 4-diformyl-2, 3, 5, 6-tetrahydroxylpiperazine as raw materials. The optimum molar ratio of thiosemicarbazide/1, 4-diformyl-2, 3, 5, 6-tetrahydroxylpiperazine was indentified to be 2.2. The yield was 46.0%. Their structures were characterized by 1H NMR, IR, MS and elemental analyses. The geometry optimization and frequency vibration analysis of two N-heterocyclic nitramine precursors were performed by density functional theory DFT-B3LYP/6-311+G(d) method. Thermodynamic properties of two precursors in the temperature range of 200 K to 800 K were investigated. Results show that the constant pressure molar capacity, standard molar entropy and standard molar enthalpy of two N-heterocyclic nitramine precursors increase with the increase of temperature.
英文关键词: N-heterocyclic  nitramine precursor  synthesis  thermodynamic property
DOI:10.11943/j.issn.1006-9941.2018.02.005
投稿日期:2017-04-24
最后修改日期:2017-06-13
网络出版日期:2018-02-11
书版出版日期:2018-02-12
基金项目:山西省高等学校科技创新项目(2016157)和山西省应用基础研究计划青年科技研究基金资助
引用文献:赵国政,陆明.两种氮杂环硝胺母体的合成及热力学性质[J].含能材料,2018,26(2):138~143.ZHAO Guo-zheng,LU Ming. Synthesis and Thermodynamic Properties of Two N-heterocyclic Nitramine Precursors[J]. Chinese Journal of Energetic Materials(Hanneng Cailiao),2018,26(2):138-143.
作者单位E-mail
赵国政 山西师范大学化学与材料科学学院, 山西 临汾 041004 zhaoguozheng99@126.com,lumingchem@163.com 
陆明 南京理工大学化工学院, 江苏 南京 210094 lumingchem@163.com 
摘要点击次数: 594
全文下载次数: 630
HTML  查看全文   查看/发表评论   下载PDF阅读器

更多>>

更多>>

分享按钮