CHINESE JOURNAL OF ENERGETIC MATERIALS
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氨基四唑化合物异构和分解反应的研究进展
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国家自然科学基金委员会―中国工程物理研究院联合基金资助项目(NSAF No. 10776002)


Progress in the Tautomerism and Decomposition of Amino-tetrazoles
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    摘要:

    对氨基四唑的多种分解和异构途径进行了综述,主要介绍了5-氨基四唑和1,5-二氨基四唑异构和分解的国内外研究现状。从目前的研究现状来看,比较常见的氨基四唑异构体主要有1-取代-氨基四唑、2-取代-氨基四唑以及1-取代-亚氨基四唑; 氨基四唑的分解途径主要有两种方式,一是两处断键开环分解成RN 3和NH 2CN,另一种为一处断键开环生成叠氮化物,该叠氮化物再失去一分子N 2。第一种分解反应途径位垒较低,是最可几的分解途径。

    Abstract:

    The tautomerization and decomposition channels of amino-tetrazoles,mainly 5-amino-tetrzole and 1,5-diamino-tetrzole,were reviewed. The up-to-date study shows that 1-substitute-amino-tetrazoles,2-substitute-amino-tetrazole and 1-substitute-imino-tetrazoles are the most common isomers of amino-tetrazoles. There are basically two mechanisms for the decomposition of amino-tetrazoles. In the first mechanism the two bonds of the tetrazole ring break off,resulting in RN 3 and NH 2CN. The second decomposition channel comprises two steps. Firstly the N—N bond is cleaved,leading to RN 3. Then the produced RN3 loses one molecule N 2. In this paper,the tautomerization mechanisms of amino-tetrazoles represented by 5-amino-tetrazole and 1,5-diamino-tetrazole were investigated by using high level quantum chemistry calculations,the results show that the active energy of the first decomposition path way is lower than that of other paths,so it is the most probable reaction path.

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冯丽娜,张建国,张同来,等.氨基四唑化合物异构和分解反应的研究进展[J].含能材料, 2009, 17(1):113-118.
FENG Li-na, ZHANG Jian-guo, ZHANG Tong-lai, et al. Progress in the Tautomerism and Decomposition of Amino-tetrazoles[J]. Chinese Journal of Energetic Materials, 2009, 17(1):113-118.

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  • 收稿日期: 2008-05-12
  • 最后修改日期: 2008-07-21
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  • 在线发布日期: 2011-11-04
  • 出版日期: 2009-02-25