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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
【摘要】 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.
【Abstract】 Mechanism of the electrophilic addition to a series of asymmetric 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.
【关键词】 ABEEM-σπ模型;
区位选择性;
Fukui函数值;
电荷分布;
局域软度;
全局硬度;
【Key words】 ABEEM-σπ model; regioselectivity; Fukui function; charge distribution; local softness; global hardness;
【Key words】 ABEEM-σπ model; regioselectivity; Fukui function; charge distribution; local softness; global hardness;
【基金】 国家自然科学基金资助项目(20633050,20403007)
- 【文献出处】 分子科学学报 ,Journal of Molecular Science , 编辑部邮箱 ,2008年05期
- 【分类号】O641.1
- 【被引频次】5
- 【下载频次】72