烯烃化合物中共轭双键数量与性质关系的理论研究

Theoretical Study on the Relationship between the Number and Properties of Conjugated Double Bonds in Olefins

本文通过密度泛函理论研究了不同双键个数的烯烃化合物的分子结构、电子结构、紫外可见光谱等性质进行了研究,从理论的角度解释了不同烯烃在实验表现中的本质因素。

This paper studies the molecular structure,electronic structure and ultraviolet-visible spectrum of olefin compounds with different numbers of double bonds through density functional theory,and explains the essential factors of different olefins in experimental performance from a theoretical perspective.