过碳酰胺分子合成条件优化、晶体结构及其热稳定性

doi:10.11944/j.issn.1000-0518.2015.12.150171

摘要/Abstract

摘要：

采用四因素、三水平的方法研究了过碳酰胺分子合成中物料比、反应温度、反应时间、稳定剂的种类对合成收率的影响,获得了合成的最佳工艺条件。在最佳合成条件下,测得过碳酰胺的产率可达到99%,活性氧含量最高可达到17.5%。通过热分析方法研究了过碳酰胺分子热稳定性。研究表明,温度超过65 ℃过碳酰胺含量和含氧量均迅速下降。利用X射线单晶衍射仪测定了其晶体结构,使用Diamond软件解析出过碳酰胺分子的三维空间超分子结构及其氢键的连接方式。

关键词: 过碳酰胺, 合成条件优化, 过碳酰胺结构, 热稳定性

Abstract:

The method of four factors and three levels was used to study the influence of the material ratio, reaction temperature, reaction time and stabilizer in order to obtain the optimal process condition of percarbamide. The results show that the yield of percarbamide is 99%,and the oxygen content is 17.5% under the optimmal synthetic condition. The thermal stability of percarbamide was investigated by thermal analysis. The results show that the content of oxygen and percarbamide decreases rapidly when the temperature exceeds 65 ℃. Finally, the crystal structure was determined by X-ray diffraction, and the software, Diamond, was used to describe the three-dimensional supramolecular structure of percarbamide and the connection mode of hydrogen bond.

Key words: percarbamide, optimization of synthetic conditions, molecular structure, thermal stability

李兵营, 闫杰, 倪珏宸, 冯小庚, 邢永恒. 过碳酰胺分子合成条件优化、晶体结构及其热稳定性[J]. 应用化学, 2015, 32(12): 1423-1430.

LI Bingying, YAN Jie, NI Juechen, FENG Xiaogeng, XING Yongheng. Synthesis, Molecular Structure and Thermal Stability of Percarbamide[J]. Chinese Journal of Applied Chemistry, 2015, 32(12): 1423-1430.

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