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Citation: Xuexiang Ma, Chengbu Liu, Dongju Zhang. Revealing the Stereoselective Rule of Electrocyclic Reactions of Chain Conjugated Polyenes by Performing Quantum Chemical Calculations[J]. University Chemistry, ;2022, 37(12): 211208. doi: 10.3866/PKU.DXHX202112089 shu

Revealing the Stereoselective Rule of Electrocyclic Reactions of Chain Conjugated Polyenes by Performing Quantum Chemical Calculations

School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China

Corresponding author: Dongju Zhang, zhangdj@sdu.edu.cn
Received Date: 30 December 2021

The electrocyclization reaction of chain conjugated polyenes is an important teaching content in the basic chemistry course of undergraduates. Taking the simplest 4n and (4n+2) chain conjugated polyenes as examples, this paper designs a teaching case based on quantum chemical calculations to quantitatively and intuitively describe the stereoselectivity of electrocyclization reactions of chain conjugated polyenes, in order to enable students to deepen their understanding of the electrocyclization reaction mechanism, frontier orbital theory, and molecular orbital symmetry conservation principle.
- Chain conjugated polyenes,
- Electrocyclic reactions,
- Stereoselectivity,
- DFT calculations
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