ABEEM-σπ模型预测典型不对称烯烃加成反应的机制

Investigation of mechanism of markovnikov reactions of alkenes via ABEEM-σπ model

根据ABEEM-σπ模型计算的Fukui函数、局域软度、全局硬度和电荷分布等物理量,应用硬软酸碱原理和最大硬度原理,合理地解释了典型不对称烯烃加成反应的机制.

Mechanism of the electrophilic addition to a series of asyrmnetric alkenes has been reasonably demonstrated, in terms of Fukui function, local softness,hardness and charge distribution obtained though the ABEEM-σπ model on the basis of local HSAB principle and maximum hardness principle.