大学化学2024，Vol.39Issue(4)：133-139,7.DOI:10.3866/PKU.DXHX202309024
蒽与马来酸酐Diels-Alder反应的量化计算研究
Quantum Chemistry Calculation Research on the Diels-Alder Reaction of Anthracene and Maleic Anhydride:Introduction to a Computational Chemistry Experiment
樊玲 1庞美丽 1张业云 1王彦美 1尚贞锋1
作者信息
- 1. 南开大学化学学院,化学国家级实验教学示范中心,天津 300071
- 折叠
摘要
Abstract
The Diels-Alder reaction between anthracene and maleic anhydride is a classic experiment commonly performed in introductory organic chemistry courses.This article recommends a computational chemistry experiment for the Diels-Alder reaction between anthracene and maleic anhydride,utilizing density functional methods in the Gaussian 16 program to investigate the reaction mechanism.The aim of this experiment is to stimulate students'interest in organic chemistry and computational chemistry,deepen their understanding of the chemical discipline,and enhance their ability to apply knowledge in scientific research.关键词
计算化学实验/有机实验/Gaussian软件/反应机理Key words
Computational chemistry experiment/Organic experiment/Gaussian software/Reaction mechanism分类
社会科学引用本文复制引用
樊玲,庞美丽,张业云,王彦美,尚贞锋..蒽与马来酸酐Diels-Alder反应的量化计算研究[J].大学化学,2024,39(4):133-139,7.
