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Structural Characterization and Thermal Behavior of a Novel Energetic Material: 1-Amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene
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  • Structural Characterization and Thermal Behavior of a Novel Energetic Material: 1-Amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene
  • Structural Characterization and Thermal Behavior of a Novel Energetic Material: 1-Amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene
저자명
Ren. Xiaolei,Zuo. Xiangang,Xu. Kangzhen,Ren. Yinghui,Huang. Jie,Song. Jirong,Wang. Bozhou,Zhao. Fengqi
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2011년|32권 7호|pp.2267-2273 (7 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

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 N-methyl pyrrolidone (NMP) at 110 $^{circ}C$. 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 $10^{26.22}s^{-1}$, respectively. The critical temperature of thermal explosion of APHDNE is 237.7 $^{circ}C$. 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.