Studies on the Electronic Structures of the C_60, C_60H_60 and C_60F_60  

作　　者：Wang Zhizhong, Shen Erzhong and Wang Liqun (Institute of Theoretical Chemistry, Jilin University, Changchun) 

出　　处：《Chemical Research in Chinese Universities》1991年第4期227-230,共4页高等学校化学研究（英文版）

摘　　要：The present paper represents the electronic structures of the cluster C60 and its derivatives C60H60 and C60F60 with FOOT-type of structure. On the basis of the total energies and molecular orbital energies from CNDO/2 calculations the clusters' stabilities, electronic configurations and charge distributions are discussed. The calculation results and discussion are very beneficial to understanding physical and chemical properties of the cluster C60 and its derivatives.The present paper represents the electronic structures of the cluster C60 and its derivatives C60H60 and C60F60 with FOOT-type of structure. On the basis of the total energies and molecular orbital energies from CNDO/2 calculations the clusters' stabilities, electronic configurations and charge distributions are discussed. The calculation results and discussion are very beneficial to understanding physical and chemical properties of the cluster C60 and its derivatives.

关 键 词：Cluster C60 and its derivatives Electronic structures CNDO/2 

分 类 号：O6[理学—化学]