A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)

被引:141
作者
Qi, Cai [1 ]
Li, Sheng-Hua [1 ]
Li, Yu-Chuan [1 ]
Wang, Yuan [1 ]
Chen, Xu-Kun [1 ]
Pang, Si-Ping [1 ]
机构
[1] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China
基金
中国国家自然科学基金;
关键词
DETONATION PROPERTIES; EXPLOSIVES; COMPOUND; SALTS;
D O I
10.1039/c0jm02970j
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A novel high-nitrogen compound with an N, N'-azo linkage, 4,4'-azobis(1,2,4-triazole), has been synthesized and well characterized. The solid-state structure was determined by X-ray diffraction. The experimentally determined density and enthalpy of formation matched with theoretically computed values based on the B3LYP method. The DSC result suggests that 4,4'-azobis(1,2,4-triazole) decomposes at a relatively high temperature (313.36 degrees C). By comparison with 3,3'-azobis(1,2,4-triazole), containing a C, C'-azo linkage, the N, N'-azo linkage was found to provide compounds with a relatively high density and high energy.
引用
收藏
页码:3221 / 3225
页数:5
相关论文
共 21 条
[1]  
[Anonymous], 1989, Explosive chemistry
[2]  
[Anonymous], 1986, AB INITIO MOL ORBITA
[3]  
Chavez DE, 2000, ANGEW CHEM INT EDIT, V39, P1791, DOI 10.1002/(SICI)1521-3773(20000515)39:10<1791::AID-ANIE1791>3.0.CO
[4]  
2-9
[5]   1,2,4-triazolium-cation-based energetic salts [J].
Darwich, Chaza ;
Klapoetke, Thomas M. ;
Sabate, Charles Miro .
CHEMISTRY-A EUROPEAN JOURNAL, 2008, 14 (19) :5756-5771
[6]  
Frisch M.J., 2006, GAUSSIAN DEV VERSION
[7]   Synthesis of Functionalized Tetrazenes as Energetic Compounds [J].
Heppekausen, Johannes ;
Klapoetke, Thomas M. ;
Sproll, Stefan A. .
JOURNAL OF ORGANIC CHEMISTRY, 2009, 74 (06) :2460-2466
[8]   Synthesis, characterization, and energetic properties of diazido heteroaromatic high-nitrogen C-N compound [J].
Huynh, MHV ;
Hiskey, MA ;
Chavez, DE ;
Naud, DL ;
Gilardi, RD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (36) :12537-12543
[9]   Polyazido high-nitrogen compounds: Hydrazo- and azo-1,3,5-triazine [J].
Huynh, MHV ;
Hiskey, MA ;
Hartline, EL ;
Montoya, DP ;
Gilardi, R .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (37) :4924-4928
[10]   A DFT theoretical study of heats of formation and detonation properties of nitrogen-rich explosives [J].
Jaidann, Mounir ;
Roy, Sandra ;
Abou-Rachid, Hakima ;
Lussier, Louis-Simon .
JOURNAL OF HAZARDOUS MATERIALS, 2010, 176 (1-3) :165-173