Open metallocene——VIII. Electronic structure of PD_2ML compounds  

作　　者：ZHANG Yun-Hong LIU Ju-Zheng LIANG Ying-Qiu TANG Ao-Qing 

机构地区：[1]Institute of Theoretical Chemistry,Jilin University,Changchun

出　　处：《Acta Chimica Sinica English Edition》1989年第4期333-341,共1页

摘　　要：EHMO method has been used to calculate the electronic structure of PD_2ML compounds (PD-pentadienyl or methyl-substituted one, M-transition metal atom, L-Lewis base). Compared with CP_2M (CP-cyclopentadienyl), fragment orbitals of PD_2M serve as starting point for general account of the effects of forming M-L bonds on configuration, conformation and stability of PD_2- ML compounds.EHMO method has been used to calculate the electronic structure of PD_2ML compounds (PD-pentadienyl or methyl-substituted one, M-transition metal atom, L-Lewis base). Compared with CP_2M (CP-cyclopentadienyl), fragment orbitals of PD_2M serve as starting point for general account of the effects of forming M-L bonds on configuration, conformation and stability of PD_2- ML compounds.

关 键 词：VIII Open metallocene Electronic structure of PD2ML compounds PD 

分 类 号：O6[理学—化学]