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Citation: Wang Yingjin, Sun Jinyu, Zhao Minggen. Nature of Conjugate Effect and Its Specialty in Organic Reaction[J]. Chemistry, ;2019, 82(4): 368-372. shu

Nature of Conjugate Effect and Its Specialty in Organic Reaction

Department of Chemistry of Xinzhou Teachers University, Xinzhou 034000

Corresponding author: Zhao Minggen, zhao_minggen@aliyun.com
Received Date: 13 November 2018
Accepted Date: 14 December 2018

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Conjugate effect, existing in conjugation systems, is one of the crucial electronic effects in organic chemistry. One of the teaching objectives of organic chemistry at university stage lies in enabling students to master and skillfully apply the conjugate effect theory to solve practical problems in organic chemistry. As conjugate effect belongs to the scope of microcosmic cognition, undergraduates often have some difficult in learning this theory. However, as the main and difficult points in teaching contents, the knowledge about the conjugate effect must be grasped by undergraduates. Meanwhile, it also is the basic theoretical knowledge that graduate students need to master. Therefore, it is very important for undergraduates to understand, master and skillfully apply the knowledge about the conjugate effect. In present paper, we calculated the HOMO and LUMO of three alkadiene molecules using theoretical calculation method at DFT level. The nature of equalization for electron cloud density is derived from the charge transfer in conjugation systems, which further leads to the equalization of bond distances.
- Conjugate effect,
- Density functional theory,
- Equalization of electron cloud density
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