摘要
用热重(TG)、差热分析(DTA)和红外光谱分析(IR)方法测试了谷氨酸的热分解过程,用AMI方法全优化计算了谷氨酸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,提出了谷氨酸的热分解反应机理.
The thermolytic process of glutamic acid are tested by TG-DTA and IR methods. The peometries ofglutamic acid, its thermolytic intermediate and final products are optimized by AMl method respectively.The parameters of the total energy and bond order etc are order etc are obtained. Thermolytic mechanism is thus putforward through the analysis of the results of the results of the experiment and calculation.
出处
《西南师范大学学报(自然科学版)》
CAS
CSCD
北大核心
1999年第4期438-442,共5页
Journal of Southwest China Normal University(Natural Science Edition)
基金
国家自然科学基金!39470008