Structural symmetry analysis of possible addition/elimination and isomeric rearrangement mechanisms of fullerenes

摘要: Abstract This work displays two-dimensional planar diagrams of three-dimensional fullerene cage clusters to clearly visualize the symmetrical arrangements complete number vertices (carbon atoms), edges (bonds) and faces rings) search for possible isomeric rearrangement addition/elimination reaction mechanisms. The reactionary symmetry correlation is based on choice common subgroup total coordinate — latter comes from combination multiple sets local coordinates over periodic surface cage. symmetric analysis also involves determination symmetry-equivalent ways such combinations generate coordinate. investigation hypothetical mechanisms addition (and elimination) two (diatomic) carbon atoms from) reactant cage, be followed by subsequent cooperative rearrangements cyclic boundaries reach structural final-product elaborated are C60(Ih, D6h, C3v, C3, D5), C76(Td, D2, C3) C84(Td, C3v). additions eliminations C26(D3h) ← C28(Td) → C30(D5h), C60(Ih) C58(C3v), C76(D2) C78(C2v, D3h) C80(D5d)b.