Citation: Zhi Da CHEN, Chun Wan LIU, Jia Xi LU. LOCALIZED MOLECULAR ORBITAL STUDY ON ELECTRONIC STRUCTURES OF BOWL-SHAPED AROMATIC HYDROCARBONS[J]. Chinese Chemical Letters, ;1993, 4(11): 963-964. shu

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

Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences;State Key Laboratory of Structural Chemistry, Fuzhou, Fujian 350002

Received Date: 1 September 1993

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.
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