针对原子轨道对称性匹配原则的分层次教学研究  

Study of Multi-Level Teaching on the Principle of Symmetry-Adapted Atomic Orbitals

作　　者：陈广慧[1] 杜信明 林旺强 马荔[2] 姜昆[3] Guanghui Chen;Xinming Du;Wangqiang Lin;Li Ma;Kun Jiang(Department of Chemistry,College of Science,Shantou University,Shantou 515063,Guangdong Province,China;School of Chemistry and Chemical Engineering,Shanghai Jiao Tong University,Shanghai 200240,China;Department of Natural Science,Shantou Polytechnic,Shantou 515041,Guangdong Province,China)

机构地区：[1]汕头大学理学院化学系,广东汕头515063 [2]上海交通大学化学化工学院,上海200240 [3]汕头职业技术学院自然科学系,广东汕头515041

出　　处：《大学化学》2022年第11期77-85,共9页University Chemistry

基　　金：广东省研究生示范课程建设项目(2019-2022);广东省高等教育教学改革项目(2018-2021)。

摘　　要：在化学专业本科生普通化学、结构化学以及研究生量子化学课程教学中,都不同程度地涉及分子轨道理论。其中组成分子轨道的原子轨道的对称性匹配问题是重要的知识点,但很多学生对此认识不清。针对这一知识点,我们根据学生不同阶段的知识基础,采用逐层递进的方法开展教学:在普通化学教学中,采用原子轨道的对称元素来解释;在结构化学课程中,则从群表示理论的角度来阐述;而在量子化学教学中,则以硫化氢分子为例,利用Roothaan方程求解分子轨道系数进行验证。由浅入深,引导学生在不同层次理解原子轨道对称性匹配组合成分子轨道原理。In the teaching of general chemistry,structural chemistry for undergraduates majored in chemistry and quantum chemistry for postgraduates,molecular orbital theory is involved to some extent.Among them,the symmetry of atomic orbitals involved in the combination of molecular orbitals is important,but many students cannot clearly understand it.To solve this problem,we adopt the method of progressive teaching of the molecular orbital theory in different basic courses:during the teaching of general chemistry,it is explained based on the symmetrical elements of atomic orbitals;in the course of structural chemistry,it is interpreted from the perspective of group representation theory;in the quantum chemistry course for graduate students,the molecular orbital coefficients are solved by Roothaan equation for verification by taking H2S as the example.Thus,students are guided step-by-step to understand the principle of atomic orbital symmetry matching in the combination of molecular orbitals.

关 键 词：原子轨道对称性匹配 分子轨道理论 多层次教学 

分 类 号：G64[文化科学—高等教育学] O6[文化科学—教育学]