| 乙酰丙酮两种不同异构体的异构化研究 |
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| 引用本文： | 陈尔跃,宋旭海,张向红.乙酰丙酮两种不同异构体的异构化研究[J].高师理科学刊,1995(1). |
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| 作者姓名： | 陈尔跃 宋旭海 张向红 |
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| 作者单位： | 齐齐哈尔轻工学院(陈尔跃，宋旭海)，齐齐哈尔造纸厂(张向红) |
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| 摘 要： | 本文应用半经验的CNDO/2方案对乙酰丙酮的两种不同异构体进行了量子化学计算。由这两种异构体的总能量、电荷分布和极化率的计算结果,较为满意地解释了随溶剂的极性不同而产生的两种异构体以不同的百分率在溶液中出现。
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| 关 键 词： | 异构体 酮式 烯醇式 CNDO/2方案 戊二酮 |
A Study on Isomerization of Acetylacetone's Two Isomers |
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| Chen Eryue,Song Xuhai.A Study on Isomerization of Acetylacetone''''s Two Isomers[J].Journal of Science of Teachers＇College and University,1995(1). |
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| Authors: | Chen Eryue Song Xuhai |
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| Institution: | Chen Eryue Song Xuhai(Qiqihar Light Industry Institute)Zhang Xianghong(Qiqihar Paper Mill) |
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| Abstract: | Calculations are performed for the enol and keton isomers of acetylacetone by quantum CNDO/2project in this paper. By the results of total energy, charge distribution and dipolar moment, it is explained that the percentage of the enol isomer in equilibrium mixture decreases as the polarity of the solvent in solution. Thes has not been discussed in earlier literatures as far as the authors know. |
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| Keywords: | Keto form Enol form Isomer CNDO/2 project Pentanecione |
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