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Citation: 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. doi: 10.3866/PKU.DXHX201910046 shu

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

College of Chemistry, Fuzhou University, Fuzhou 350116, P. R. China

Received Date: 23 October 2019

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.
- Aromatic hydrocarbon,
- Computational chemistry,
- Molecular structure,
- Teaching content
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