| 二乙酰亚胺和硫代乙酰基乙酰胺的热分解反应研究 |
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| 引用本文： | 王甡,洪三国.二乙酰亚胺和硫代乙酰基乙酰胺的热分解反应研究[J].江西师范大学学报(自然科学版),1993(4). |
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| 作者姓名： | 王甡 洪三国 |
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| 作者单位： | 江西师范大学化学系，江西师范大学化学系 |
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| 摘 要： | 本文用MINDO/3方法研究了二乙酰亚胺和硫代乙酰基乙酰胺的热分解反应,结果表明,硫代乙酰基乙酰胺比二乙酰亚胺易分解:且苯基对分解反应的影响甚小。
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| 关 键 词： | 热分解 二乙酰亚胺和硫代乙酰基乙酰胺 内禀反应坐标 MINDO/3方法 |
A Quantum Chemitry Study on the Thermolysis of CH_3C(O)NHC(X)R |
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| Wang Shen Hong Sanguo.A Quantum Chemitry Study on the Thermolysis of CH_3C(O)NHC(X)R[J].Journal of Jiangxi Normal University (Natural Sciences Edition),1993(4). |
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| Authors: | Wang Shen Hong Sanguo |
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| Institution: | Dept. of Chem. |
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| Abstract: | MINDO/3 MO method has been used to study the thermolysis of RC(X)NHC(O)CH_3(X=O or S). The result obtained show that diacetamide and acdtylthioacetamide are decomposed into its products thrugh two possible cannels with their activation energies of 237. 823(X=O) and 225. 128(X=S)kJ/mol, respectively; the thermolysis of the acetythioacetamide goes easier than diacetamide does; the influence of the phenyl group on the thermolysis is insignificant. |
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| Keywords: | thermolysis diacetamide and acetylthioacetamide intrinsic reaction coordinate(IRC) MINDO/3 method |
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