当前位置：
X-MOL 学术
›
Propellants Explos. Pyrotech.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Theoretical and Experimental Study of the α‐ and β‐Phase of Diammonium 5,5′‐Bistetrazole‐1,1′‐Diolate (ABTOX)
Propellants, Explosives, Pyrotechnics ( IF 1.7 ) Pub Date : 2019-11-19 , DOI: 10.1002/prep.201900165 Xiao Jun Wang 1 , Xiao Peng Zhang 1 , Xia Wang 1 , Zhi Yan Lu 1 , Feng Qin Shang 1 , Yun Zhao 2
Propellants, Explosives, Pyrotechnics ( IF 1.7 ) Pub Date : 2019-11-19 , DOI: 10.1002/prep.201900165 Xiao Jun Wang 1 , Xiao Peng Zhang 1 , Xia Wang 1 , Zhi Yan Lu 1 , Feng Qin Shang 1 , Yun Zhao 2
Affiliation
|
Two new phase of diammonium 5,5′‐bistetrazole‐1,1′‐diolate (α‐ and β‐ABTOX) were prepared, and its structure were characterized by FT‐IR spectroscopy and single X‐ray diffraction. The thermal decomposition processes of α‐ and β‐ABTOX were studies by means of the DTA‐TG and TG‐MS technologies, the crystal morphology of α‐ and β‐ABTOX were studied by SEM technology. The results show thermal stability of α‐ABTOX is better than β‐ABTOX, the crystal morphology of α‐ and β‐ABTOX are rhombus and square. Finally, front orbital energies and the molecular electronic potential (MEP) of α‐ and β‐ABTOX were studied using density functional theory (DFT) B3LYP/6‐311G(d, p) basis set level.
中文翻译：
2,5,5'-联苯达唑-1,1'-二碘化铵（ABTOX）的α和β相的理论和实验研究
制备了两个新的5,5'-双四唑-1,1'-二醇二铵盐（α-和β- ABTOX），并通过FT-IR光谱和单X射线衍射对其结构进行了表征。通过DTA-TG和TG-MS技术研究了α-和β- ABTOX的热分解过程，并通过SEM技术研究了α-和β- ABTOX的晶体形态。结果表明，α- ABTOX的热稳定性优于β- ABTOX，α-和β- ABTOX的晶体形态为菱形和正方形。最后，前轨道能量和分子电子势（MEP）使用密度泛函理论（DFT）B3LYP / 6‐311G（d，p）基集水平研究了α‐和β‐ ABTOX。
更新日期：2020-03-22
中文翻译：
2,5,5'-联苯达唑-1,1'-二碘化铵（ABTOX）的α和β相的理论和实验研究
制备了两个新的5,5'-双四唑-1,1'-二醇二铵盐（α-和β- ABTOX），并通过FT-IR光谱和单X射线衍射对其结构进行了表征。通过DTA-TG和TG-MS技术研究了α-和β- ABTOX的热分解过程，并通过SEM技术研究了α-和β- ABTOX的晶体形态。结果表明，α- ABTOX的热稳定性优于β- ABTOX，α-和β- ABTOX的晶体形态为菱形和正方形。最后，前轨道能量和分子电子势（MEP）使用密度泛函理论（DFT）B3LYP / 6‐311G（d，p）基集水平研究了α‐和β‐ ABTOX。
京公网安备 11010802027423号