3,3-二硝基氮杂环丁烷的缩合反应研究

A STUDY ON CONDENSATION REACTION OF 3,3 DINITROAZETIDINE

以３，３二硝基氮杂环丁烷（ＤＮＡＺ）含能单体分别与光气及草酰氯反应，制得了两种多硝基化合物。经元素分析及红外、核磁共振光谱鉴定了它们的结构，并用ＤＳＣ法测定了它们的热分解的动力学参数。还用ＳＣＦＭＯＡＭ１方法对二（３，３二硝基氮杂环丁烷）酮进行了“量化”计算，求得了全优化几何构型和电子结构。

By condensation reaction of 3,3 dinitroazetidine with phosgene and oxalyl chloride,two polynitrocompounds were obtained. Their thermal kinetic parameters were determined by DSC experiment and structure were identified by IR spectrum,NMR analysis. Quantum chemistry calculation for bis(3′,3′ dinitroazetidine)one was made by using SCF MO AM1 code and the optimal geometric configuration and electronic structure were obtained therefrom.