谷氨酰胺热分解机理的研究

谷氨酰胺热分解机理的研究 Studies on Thermolytic Mechanism of Glutamine 黎新 LI Xin 1 first-author 武汉大学化学与环境科学学院,武汉,430072 武汉大学化学与环境科学学院,武汉,430072 College of Chemistry and Environment Science, Wuhan University College of Chemistry and Environment Science, Wuhan University 用 Ｔ Ｇ、 Ｄ Ｔ Ａ 和 Ｉ Ｒ方法测试了谷氨酰胺的热分解过程，用 Ａ Ｍ １ 方法全优化计算了谷氨酰胺及其热分解中间产物、产物分子的几何构型，得到其总能量，键级等数据 通过对实验结果和计算结果如键级、定域轨道能的分析，提出了谷氨酰胺的热分解反应机理 The thermolytic process of glutamine are tested by TG DTA and IR methods in this paper. The geometries of glutamine, its thermolytic intermediate and final products are optimized by AM1 method respectively. The parameters of the total energy and bond order etc. are obtained. Thermolytic mechanism is thus put forward through the analysis of the results of the experiment and calculation. 谷氨酰胺 热分解反应机理 AM1 glutamine thermolytic mechanism AM1 O641.12 国家自然科学基金(61672102) 1999-04-01 2021-04-01 4