MS分子模拟软件在有机化学立体异构教学中的应用

Application of Material Studio Software in Stereo-isomerism of Organic Chemistry Teaching

以2-溴丁烷分子为例,介绍了Material Studio(MS)分子模拟软件中Visualizer、Forcite、Conformers三个功能模块在有机分子空间构象及卤代烷E2消除反应中的教学应用,帮助学生辨析有机化学中有关构型异构、构象异构等易混淆的抽象概念,充分认识卤代烷消除反应中的立体化学现象,从定性、定量的角度为深入理解由于立体异构所导致的有机物化学反应行为机理奠定基础。

Taking 2-bromobutane as an example,Material Studio(MS)software with three functional modules:Visualizer,Forcite and Conformer,was applied in the conformation and E2 elimination reaction teaching.The dynamic and consecutive visualization of the molecular conformation and potential energy was expected to clarify abstract conceptions and promote the comprehension of reaction mechanism in the stereo-chemistry from the qualitative and quantitative point of view.