Hybrid bond orbitals in C_(60) and C_(70)  

作　　者：刘军 江元生 

机构地区：[1]Department of Chemistry, Nanjing University, Nanjing 210093, China

出　　处：《Chinese Science Bulletin》1995年第1期33-36,共4页

基　　金：Project supported by the National Natural Science Foundation of China

摘　　要：Based on the hybrid orbital theory of Pauling, Haddon developed the π-orbital axis vector （POAV） analysis for treating the hybridization and the orientation of π orbitals in nonplanar conjugated organic systems. He programmed the calculation, giving numerical results for fullerenes. Recently, Chen Qiong et al. also constructed hybrid orbitals of C₆₀ and C₇₀, but the assumed orientation of π-hybrid orbitals seems to be not quite realistic. In this note, we made an analysis on POAV, construct the hybrid orbitals and determine the orientation of π-hybrid orbitals in C₆₀ and C₇₀ in analytical and numerical forms, respectively.

关 键 词：HYBRIDIZATION carbon CAGES C60 MOLECULE C70 molecule. 

分 类 号：O561[理学—原子与分子物理]