Polymorphism has attracted significant attention in the area of pharmaceutical chemistry and materials chemistry. For energetic materials, polymorphism may affect their physical performances such as energy, sensitivity, thermal stability, etc. 4,4′,5,5′-Tetranitro-1H,1′H-[2,2′-biimidazole]-1,1′-diamine (DATNBI) exhibits high density (d: 1.93 g cm^–3), superior detonation performance (D: 9063 m s^–1) and comprehensive sensitivity (IS: 15 J), suggesting it is a nonsensitive-high-energy material (NSHEM) compared with HMX as a sensitive-high-energy material (SHEM). In this work, a new polymorph of DATNBI was discovered for the first time. To elucidate its phase transformation behavior and morphology-performance relationship, single X-ray diffraction (SXRD), variable temperature powder X-ray diffraction (VT-PXRD), Raman spectroscopy, differential scanning calorimetry-thermal gravity (DSC-TG), and scanning electron microscopy (SEM) were characterized thoroughly. Solvation and temperature effects on the polymorph formation of DATNBI were also investigated.

中文翻译：

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多态性在不敏感的高能材料：发现4,4新晶型和晶体结构的'，5,5'-四硝基1 ^ h，1' ^ h - [2,2'-二咪唑] -1,1 '二胺

多态性在药物化学和材料化学领域引起了极大的关注。对于高能材料，多态性可能影响其物理性能如能量，灵敏度，热稳定性等4,4'，5,5'-四硝基1 ħ，1' ħ - [2,2'-联咪唑〕-1- ，1'-二胺（DATNBI）表现出高密度（d：1.93 g cm ^–3），优异的爆震性能（D：9063 ms ^–1）和综合灵敏度（IS：15 J），表明与HMX相比，它是一种不敏感的高能材料（NSHEM）。在这项工作中，首次发现了DATNBI的新多晶型物。为了阐明其相变行为和形态与性能的关系，使用了单X射线衍射（SXRD），变温粉末X射线衍射（VT-PXRD），拉曼光谱，差示扫描量热法-热重力（DSC-TG）和扫描电子显微镜（SEM）进行了全面表征。还研究了溶剂和温度对DATNBI多晶型物形成的影响。