| 二羟基苯氧基硅烷合成途径设计及产物表征 |
| |
| 引用本文： | 洪晓斌,谢凯,肖加余. 二羟基苯氧基硅烷合成途径设计及产物表征[J]. 国防科技大学学报, 2007, 29(5): 31-34 |
| |
| 作者姓名： | 洪晓斌 谢凯 肖加余 |
| |
| 作者单位： | 国防科技大学,航天与材料工程学院,湖南,长沙,410073;国防科技大学,航天与材料工程学院,湖南,长沙,410073;国防科技大学,航天与材料工程学院,湖南,长沙,410073 |
| |
| 基金项目： | 国家863高技术资助项目(2002AA333140) |
| |
| 摘 要： | 用Hyperchem 7.0软件的半经验分子轨道法(Semi-empirical-AM1)和分子力学(Molecular Dynamics)法计算了二羟基苯氧基硅烷不同合成过程反应的焓变,对反应途径进行优选,计算了产物的IR谱图,并与实验结果进行了对比。研究表明,以对苯二酚与二乙氧基硅烷进行反应制备二羟基苯氧基硅烷在热力学上是有利的,可得到目标产物;Hyperchem 7.0软件用于新型有机硅化合物合成途径优化及产物表征具有一定的应用价值。
|
| 关 键 词： | 分子设计 生成热 焓变 环氧树脂 改性 |
| 文章编号： | 1001-2486(2007)05-0031-04 |
| 收稿时间： | 2007-02-10 |
| 修稿时间： | 2007-02-10 |
Molecule Design of the Synthesis Route of Dihydroxyldiphenoxydimethyl Silane and Its Characterization |
| |
| HONG Xiaobin,XIE Kai and XIAO Jiayu. Molecule Design of the Synthesis Route of Dihydroxyldiphenoxydimethyl Silane and Its Characterization[J]. Journal of National University of Defense Technology, 2007, 29(5): 31-34 |
| |
| Authors: | HONG Xiaobin XIE Kai XIAO Jiayu |
| |
| Affiliation: | College of Aerospace and Materials Engineering, National Univ. of Defense Technology, Changsha 410073, China;College of Aerospace and Materials Engineering, National Univ. of Defense Technology, Changsha 410073, China;College of Aerospace and Materials Engineering, National Univ. of Defense Technology, Changsha 410073, China |
| |
| Abstract: | Enthalpy change for different synthesizing route of dihydroxyldiphenoxydimethyl silane was calculated with semi-empirical-AM1 and Molecular Dynamics by means of HyperChem7.0.The theoretical calculation gave optimized synthesizing route and IR spectra of the novel target compound.It showed that synthesis of dihydroxyldiphenoxydimethyl silane by dimethydiethoxyalkoxy silane was favorable according to thermodynamic calculation results.The target compound can be obtained in the synthesizing experiment.Hyperchenm7.0 was useful in synthesis and characterizing of novel organic compound. |
| |
| Keywords: | molecule design heat of formation entropy change epoxy resin modification |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
| 点击此处可从《国防科技大学学报》浏览原始摘要信息 |
|
点击此处可从《国防科技大学学报》下载免费的PDF全文 |
|
