| 天冬酰胺热解机理的研究 |
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| 引用本文： | 王辉宪,颜肖慈,罗明道,屈松生.天冬酰胺热解机理的研究[J].湖南大学学报(自然科学版),2000,27(6):32-37. |
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| 作者姓名： | 王辉宪 颜肖慈 罗明道 屈松生 |
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| 作者单位： | 1. 吉首大学化学系,湖南,吉首,416000
2. 武汉大学化学系,湖北,武汉,430072 |
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| 基金项目： | 中国科学院资助项目，29070181， |
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| 摘 要： | 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３９０Ｋ左右，第二步发生在５１９Ｋ左右，失重率分别为１７．５８％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。
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| 关 键 词： | 天冬酰胺 MNDO 热解机理 氨基酸衍生物 失重率 |
| 修稿时间： | 1999-12-01 |
Study on Mechanism of Thermodecomposition of Asparamide |
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| WANG Hu-xian,YAN Xiao-ci,LUO Ming-dao,QU Song-sheng.Study on Mechanism of Thermodecomposition of Asparamide[J].Journal of Hunan University(Naturnal Science),2000,27(6):32-37. |
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| Authors: | WANG Hu-xian YAN Xiao-ci LUO Ming-dao QU Song-sheng |
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| Abstract: | The thermal decomposition of asparamide has been studied by DTA,TG method.The overall mechanism finished by two steps,the first at about 390 K,the second at about 519 K.The W.L(%) was 17.58 % and 38.60 %respectively.The products of different stages have been studied by IR spetra.The molecular geometries of asparamide,the intermediates and the end products were optimized by MNDO method.The bond lenths,bond angles,bond orders and bonding double atoms interaction energys of those were calculated.Combineing experiments with results of calculation,the mechanism of thermodecomposition of asparamide has been formulated. |
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| Keywords: | asparamide MNDO thermodecomposition mechanism |
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