Fullerene[51] with Quasi‐planar Tetracoordinate Carbons and Its Derivatives

Abstract Fullerene[51] containing quasi‐planar tetracoordinate carbons and its eight modificational compounds with quasi‐planar tetracoordinate carbons have been constructed. Using B3LYP method, their structures, stabilities, and bonding properties have been investigated, indicating that the nine novel structures are stable and have big vertical detachment energies and relatively small vertical electron affinities. The structures of the nine compounds contain five‐ and six‐membered rings, as well as bigger ten‐membered rings.