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

MSC2000:

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]	Shuyong Zhang, Jinlin Li, Louzhen Fan, Wenhua Hou, Guowang Diao, Yupeng Guo. Suggestions for Teaching Contents and Requirements of Physical Chemistry Course for Chemistry Majors (2020 Edition) [J]. University Chemistry, 2021, 36(1): 2009052-0.
[2]	Tian Li, Pan Zhang, Lei Bian, Ling Guan, Xuanfeng Xu, Qihan Zhang, Jieyu Wang, Yingxia Wang. Computational Exercises in Undergraduate Organic Chemistry Laboratory [J]. University Chemistry, 2021, 36(1): 2012048-0.
[3]	Zhilian Liu, Yu Cui, Siquan Liu, Xiaofeng Yang, Shoufeng Wang. Design of the "Curriculum Ideological and Political Education" in Organic Chemistry [J]. University Chemistry, 2020, 35(9): 31-35.
[4]	Yuejie Ai. Exploration of the Computational Chemistry Assisted Teaching Model for Classroom Teaching of Inorganic Chemistry [J]. University Chemistry, 2020, 35(8): 122-128.
[5]	Yaxian Zhu, Qin Kuang, Cheng Wang, Rongbin Huang, Shiyao Yang, Lansun Zheng. Inorganic Chemistry Curriculum Setting and Teaching Contents of Chemistry Majors: Taking Xiamen University as an Example [J]. University Chemistry, 2020, 35(8): 1-5.
[6]	Pingping Zhao, Ping Cai, Kai Hu, Wei Luo, Gongzhen Cheng. A Graphical Explanation of Atomic Orbital Hybridization [J]. University Chemistry, 2020, 35(8): 93-97.
[7]	Yan Xia, Yafei Yang. Some Thoughts on Analytical Chemistry Teaching under New Coronavirus Pneumonia [J]. University Chemistry, 2020, 35(5): 7-9.
[8]	Yaxian Zhu, Hualong Xu, Shuyong Zhang, Nanfeng Zheng, Lansun Zheng. Suggestions on the Development of "Energy Chemistry" [J]. University Chemistry, 2020, 35(10): 23-27.
[9]	Qiue Cao, Shixi Liu, Dongmei Lu. Reform and Practice of Curriculum System and Teaching Contents under the Guidance of Emerging Engineering Education: Taking Pharmaceutical Engineering Specialty of Yunnan University as an Example [J]. University Chemistry, 2020, 35(10): 99-103.
[10]	Heng ZHANG,Ying MA,Gang LIU,Dongju ZHANG,Qisheng SONG,Shiling YUAN. Exploration and Practice on Construction of Molecular Simulation Experiment Course [J]. University Chemistry, 2019, 34(9): 26-31.
[11]	Lirong LIN,Shunliu DENG,Xiaolan CHEN,Xiangjian KONG. Application of the Data and Graphics of Computational Chemistry into General Chemistry Teaching [J]. University Chemistry, 2019, 34(9): 32-36.
[12]	Yidan JING,Xiaoming XIAO,Xiaomin ZHANG. Application and Optimization Strategy of "Demonstration-Class Evaluation-Experiment" Teaching Mode in Laboratory Teaching: Taking the Course of Teaching Theory in Chemistry as an Example [J]. University Chemistry, 2019, 34(5): 27-32.
[13]	Heng ZHANG,Gang LIU,Ying MA,Qisheng SONG,Zhilei YIN,Shiling YUAN. Cases Design for Course Ideology and Politics Education in a "Top-Notch Plan" Special Course: Molecular Simulation Experiment [J]. University Chemistry, 2019, 34(11): 82-87.
[14]	Yehua SHEN, Yaoyu WANG, Jianli LI, Jiang CHANG, Fengxing ZHANG. Construction of a New Curriculum System for Cultivating Innovative Chemical Talents in Local Comprehensive Universities [J]. University Chemistry, 2018, 33(9): 16-20.
[15]	Shaoqian LIU,Jiaguo WANG,Shian ZHONG. Comparison of Molecular Acidity of Proton Acids [J]. University Chemistry, 2018, 33(4): 57-65.

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

RichHTML

PDF (PC)

Like

Knowledge

Abstract

Cite this article

share this article

Figures/Tables 9

References 10

Related Articles 15

Metrics

Recommended 0