MNDO Study of Boron-Nitrogen Analogues of Buckminsterfullerene

摘要

An MNDO study of boron-nitrogen analogues of buckminsterfullerene is presented.The relative properties of (Carbon(60)), (Boron carbon), (Nitrogen carbon), (Boron carbon), (Carbon boron nitrogen) and (Boron nitrogen) are studied. The heats of formation of such 60-atom systems from benzene, naphthalene and their BN analogues are compared. It is found that all these hybrids are approximately as stable as buckminsterfullerene. Surprisingly, it is predicted that (Boron nitrogen) will be stable and should be relatively simple to synthesize from borazine.