杂多酸催化合成淀粉聚醚多元醇及其反应中间体稳定性及反应活性的量子化学研究  

Preparation of Starch Polyether Polyols Catalyzed by HPA

作　　者：岳淑美[1] 颜力楷[2] 唐艳茹[1] 苏忠民[2] 

机构地区：[1]长春师范学院,吉林长春130032 [2]东北师范大学,吉林长春130024

出　　处：《长春师范学院学报（自然科学版）》2004年第2期26-29,共4页Journal of Changchun Teachers College

基　　金：国家自然科学基金(批准号:20171011)

摘　　要：采用可溶性固体杂多酸作均相反应催化剂,两步反应使用一种催化剂,在中温、常压条件下,就合成了产率较高的符合工业技术指标的淀粉聚醚多元醇,而且催化剂能得到95％以上的回收,简化了工艺过程,提高了产品的质量,降低了其成本。用元素分析、IR、1H NMR和羟值的测定确定了产物的组成和分子量,对中试实验进行了初步探索,得出最佳合成条件。同时采用量子化学B3LYP方法在6-31+G(d)基组水平上对反应物模型体系进行几何优化,分析体系的前线分子轨道分布规律、净电荷、以及自由基的稳定性及反应活性特征,揭示接枝共聚反应机理。For the first using HPA as the catalyst on the synthesis of Starch Polyether Polyols, we determined the reactive condition and solved the reusing the catalyst, furthermore, the using rate of starch is improved by the way. It established the base of the middle test. It was characterized by IR, 1 H NMR and molecular weight was obtained through their hydroxide numerical value. The model system of reactant was optimized using quantum chemistry B3LYP method with 6 -31+G(d) basis set. The regularity of frontier molecular orbitals, net charge, the stability of free radical and reactivity character on the model system were analyzed. The reactive mechanism was indicated.

关 键 词：聚醚多元醇 催化剂 固体杂多酸 合成 中间体 反应活性 酸催化 量子化学 B3LYP 基组 

分 类 号：G633[文化科学—教育学] O641[理学—物理化学]