LOCALIZED MOLECULAR ORBITAL STUDY ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS

作     者：Zhi Da CHEN Chun Wan LIU Jia Xi LU Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences State Key Laboratory of Structural Chemistry, Fuzhou, Fujian 350002 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：1993年第4卷第11期

页      面：963-964页

核心收录：

学科分类：07[理学] 0703[理学-化学] 

主　　题：In LOCALIZED MOLECULAR ORBITAL STUDY ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS 工工 

摘      要：The localized molecular orbitals for typical bowl-shaped circulenes are obtained by the use of INDO-LMO method. It is found that these bowl-shaped circulenes with strained π-electron systems are still aromatic and the rim π-bonds with larger localization form reactive regions for formation of buckminsterfullerene.