芳香烃章节教学中若干问题的计算与探讨

doi:10.3866/PKU.DXHX201910046

Abstract

Abstract:

By means of calculation on the molecular structures and energies of some organic compounds and intermediates based on 6-311G(d)/B3LYP method, the following questions have been discussed:(1) regioselectivity of Birch reduction; (2) electronic effect of chloromethyl; (3) effect of antiaromaticity on structures of organic compounds; (4) local aromaticity of polycyclic compounds. These calculations and discussions enrich the teaching content of organic chemistry course and are useful for college students to study aromatic hydrocarbon.

Key words: Aromatic hydrocarbon, Computational chemistry, Molecular structure, Teaching content

Wenfeng Wang, Yaofeng Yuan, Zhimin Lin. Calculation and Discussion of Some Questions in the Teaching of Aromatic Hydrocarbon Chapter[J].University Chemistry, 2020, 35(7): 171-178.

Figures/Tables 9

References 10

1	王积涛; 王永梅; 张宝申; 胡青眉; 庞美丽. 有机化学, 第3版天津: 南开大学出版社, 2009.
2	胡宏纹. 有机化学, 第2版北京: 高等教育出版社, 1990.
3	邢其毅; 裴伟伟; 徐瑞秋; 裴坚. 基础有机化学, 第3版北京: 高等教育出版社, 2005.
4	Vollhardt, P.; Schore, N. Organic Chemistry: Structure and Function, 6th ed.; W. H. Freeman and Company: New York, USA 2009.
5	邢其毅; 裴伟伟; 徐瑞秋; 裴坚. 基础有机化学(下册), 第4版北京: 高等教育出版社, 2017, 825.
6	邢其毅; 裴伟伟; 徐瑞秋; 裴坚. 基础有机化学(上册), 第3版北京: 高等教育出版社, 2005, 471.
7	Platt J. R. J. Chem. Phys. 1954, 22, 1448.
8	袁履冰; 郝明. 大学化学, 2004, 19 (4), 50.
9	施小宁. 大学化学, 2008, 23 (3), 68.
10	谷亨杰; 张力学; 丁金昌. 有机化学, 第3版北京: 高等教育出版社, 2015, 194.

[1]	Xiaowa Nie, Wenchao Yang, Xinwen Guo. A Computational Chemistry Experiment on the Reaction Mechanisms of Intra- and Intermolecular Ethanol Dehydration [J]. University Chemistry, 2023, 38(9): 179-187.
[2]	Yu'ang Liu, Xiaohong Liu, Shu Li, Shihai Ye, Guoran Li, Tianying Yan. Computational Chemistry Design of the Experiment of Determining the Copper-Zinc Glavanic Battery Standard Electromotive Force [J]. University Chemistry, 2023, 38(9): 227-233.
[3]	Hongwei Sun, Jian Wan. Comparison of Teaching Contents of Representative Structural Chemistry Textbooks at Home and Abroad [J]. University Chemistry, 2023, 38(6): 182-188.
[4]	Heng Zhang, Chunjiang Jia, Qisheng Song, Shiling Yuan. Exploration and Practice of Textbook Construction of Molecular Simulation [J]. University Chemistry, 2023, 38(6): 189-196.
[5]	Heng Zhang, Qisheng Song, Chunjiang Jia, Shiling Yuan. Molecular Dynamics Simulation of Molecule or Cluster: Introducing a Computational Chemistry Experiment [J]. University Chemistry, 2023, 38(5): 172-180.
[6]	Anna Tang, Dongxiao Cao. "Spreading Excellent Culture" of the Ten Principles of Teachers' Professional Behavior in the New Era: Using the Teaching of Professional Course as an Example [J]. University Chemistry, 2023, 38(5): 49-53.
[7]	Liangyu Gong, Jie Wang, Fengyu Du, Xiuzhong Wang, Lubin Xu, Zuwei Song, Shihai Yan, Wei Pan, Fuheng Liu, Yuting Zhao. Construction and Practice of Experimental and Practical Teaching System of "One Center, Two Pillars and Three-Dimensional Management" [J]. University Chemistry, 2023, 38(3): 46-52.
[8]	Yuzhi Wang, Yi Yang, Qin Wei, Gongke Li, Wenqing Zhang, Qiue Cao, Chengbin Zheng, Bingchun Xue, Xiaohai Yang, Zhaoyang Wu, Zengping Chen, Guosheng Song, Shuangyan Huan. Suggestion for Teaching Contents and Teaching Requirements of Analytical Chemistry Course for Chemistry Majors [J]. University Chemistry, 2023, 38(1): 8-21.
[9]	Haoyue Dong, Zhenzhen Feng, Jiangyan Duan, Hengyu Shi, Jinmei Zhou, Huijun Zhang. Exploring Chemical Structures by Knotting [J]. University Chemistry, 2022, 37(9): 2207061-.
[10]	Shuyong Zhang, Louzhen Fan, Yuan Chun, Yongmei Liu, Fuping Tian, Yunshan Bai, Shue Song. Suggestions on Teaching Contents and Requirements of Physical Chemistry Laboratory for Chemistry Majors of Higher Chemistry Education [J]. University Chemistry, 2022, 37(6): 2108061-.
[11]	Wenhua Xu, Anyang Li, Kefen Yue. Bonding Analysis of AB₄-Type Oxyacid Negative Ions of Main Group Elements: A Recommendation of a Research-Oriented Computational Chemistry Experiment [J]. University Chemistry, 2022, 37(2): 2108101-.
[12]	Xiaoyan Li, Huaiyu Zhang, Lingpeng Meng, Yanli Zeng. Exploration and Practice of Mixed Online/Offline Teaching in Computational Chemistry Laboratory [J]. University Chemistry, 2022, 37(12): 2112054-0.
[13]	Chunfang Zhang, Ziyang Liu, Zilin Zhao, Lüjie Fan, Zan Zhang, Yanli Shang, Shuying Huo, Gang Ma. Exploration of Research-Oriented Teaching in Colleges: Theoretical Calculations and Simulations of Nuclear Magnetic Resonance for Aromatic Hydrocarbons [J]. University Chemistry, 2022, 37(12): 2205012-0.
[14]	Zonghuai Liu, Pei Chen, Xuexia He, Feng Shi. Inorganic Chemistry Course System and Teaching Content Construction for New Energy Materials and Devices Major [J]. University Chemistry, 2022, 37(11): 2111057-0.
[15]	Ruoxi Liu, Leyao Wang, Suneng Liu, Beiyan Zeng, Ruimin Bi, Zhihui Zhang. Quantum Chemistry Research on an Inorganic Chemistry Problem: Structure Search and Properties of P₄²⁻ Clusters [J]. University Chemistry, 2022, 37(11): 2112011-0.

Calculation and Discussion of Some Questions in the Teaching of Aromatic Hydrocarbon Chapter

RichHTML

PDF

Like

Knowledge

Abstract

Cite this article

share this article

Figures/Tables 9

References 10

Related Articles 15

Metrics

Recommended 0