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用 DTA、TG方法研究了天冬酰胺的热解反应 .整个反应分两步进行 ,第一步发生在 390 K左右 ,第二步发生在 51 9K左右 ,失重率分别为 1 7.58%和 38.60 % .用 IR方法分析了不同热解阶段的产物 .并用MNDO方法优化了天冬酰胺、热解产物及热解中间产物的几何构型 ,计算了各分子中的键长、键角、键级和有关的成键双原子作用能 .根据实验分析 ,结合 MNDO计算结果 ,提出了天冬酰胺的热解机理
The pyrolysis reaction of asparagine was studied by DTA and TG.The whole reaction was carried out in two steps, the first step was about 390 K, the second step was about 51 9K, the weight loss rate was 1 7.58% and 38.60% The products of different pyrolysis stages were analyzed by IR method, and the geometric configurations of asparagine, pyrolysis products and pyrolysis intermediates were optimized by MNDO method. The bond length, bond angle, bond order and Related to the bond-forming diatomic energy.According to the experimental analysis, combined with MNDO calculation results, the pyrolysis mechanism of asparagine