Theoretical investigation of the stereoselectivity of some Diels-Alder reactions involving cyclopentadiene  

作　　者：Dong Xia Zhao Zhen Zhen Xu Zhong Zhi Yang 

机构地区：[1]College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, China

出　　处：《Chinese Chemical Letters》2008年第9期1135-1138,共4页中国化学快报（英文版）

基　　金：the grants from the National Natural Science Foundation of China.(No.20633050 and 20403007).

摘　　要：The stereoselectivity of some Diels-Alder reactions was investigated by means of ABEEM-oTr model. Combined with local hard-soft and acid-base （HSAB） principle, we made reasonable explanation by calculating local softness of atom and bond regions for the stereoselectivity of four Diels-Alder reactions involving cyclopentadiene.The stereoselectivity of some Diels-Alder reactions was investigated by means of ABEEM-oTr model. Combined with local hard-soft and acid-base （HSAB） principle, we made reasonable explanation by calculating local softness of atom and bond regions for the stereoselectivity of four Diels-Alder reactions involving cyclopentadiene.

关 键 词：ABEEM-σπ model Diels--Alder reaction STEREOSELECTIVITY Local softness 

分 类 号：O621.3[理学—有机化学]