【摘要】 主要用气相色谱（GC）、辅以差热-热重（DTA-TG）和红外（IR）分析法实测了环脲硝胺系列化合物的热解过程和产物。在H₂和N₂气氛中的热解初始及最高温度基本一致,气相分解产物也主要均为N₂O、NO₂、CO₂和H₂O等。用全略微分重叠（CNDO/2）分子轨道法计算了它们的电子结构,发现各基态分子中均以N-NO₂键的键级最小,支持了该键将优先断裂的热解引发机理。更多还原

【Abstract】 The thermal decomposition of a series of the title compounds has been detected by means of GC, DTA-TG and IR methods, respectively. Different atmospheres have no obvious effect upon the decomposition temperature and decomposition products of these compounds, The main gaseous products released during explosive decomposition are NO₂ , N₂O, CO₂ and H₂O. The electronic structures of the title compounds have been calculated by ScF-CNDO/2 method. The results show that the Mulliken bond order of N-NO₂ bond in each compound is the smallest. The initiation mechanism of thermodecomposition and explosion has been discussed.更多还原