Structural Characterization and Thermal behavior of a Novel Energetic Material: 1-Amino-1-(2,4-dinitrophenylhydrazine-yl)-2,2-dinitroethylene

Bulletin of the Korean chemical society

Kangzhen Xu¹  Fengqi Zhao¹  Jirong Song¹  Jie Huang¹  Xiaolei Ren¹  Yinghui Ren¹  Bozhou Wang¹  Xiangang Zuo¹ 

关键词: 1-Amino-1-(2;    4-dinitrophenylhydrazinyl)-2;    2-dinitroethylene (APHDNE);    1;    1-Diamino-2;    2- dinitroethylene (FOX-7);    Theoretical calculation;    Thermal behavior;    Adiabatic time-to-explosion;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

A novel energetic material, 1-amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene (APHDNE), was synthesized by the reaction of 1,1-diamino-2,2-dinitroethylene (FOX-7) and 2,4-dinitrophenylhydrazine in Nmethyl pyrrolidone (NMP) at 110 oC. The theoretical investigation on APHDNE was curried out by B3LYP/ 6-311+G* method. The IR frequencies analysis and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of APHDNE was studied by DSC and TG/DTG methods, and can be divided into two crystal phase transition processes and three exothermic decomposition processes. The enthalpy, apparent activation energy and pre-exponential factor of the first exothermic decomposition reaction were obtained as −525.3 kJ mol−1, 276.85 kJ mol−1 and 1026.22 s−1, respectively. The critical temperature of thermal explosion of APHDNE is 237.7 oC. The specific heat capacity of APHDNE was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 363.67 J mol−1 K−1 at 298.15 K. The adiabatic time-to-explosion of APHDNE was also calculated to be a certain value between 253.2-309.4 s. APHDNE has higher thermal stability than FOX-7.

【 授权许可】

Unknown