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- W2738927784 abstract "Abstract A theoretical approach is used to recognise the stereochemical patterns which emerge when X 2 (X = H, halogen, etc.) is added to C 60 to form C 60 X n . Addition to form C 60 X n occurs either at a hex-hex edge, or across the para -positions of one of the hexagonal faces. Both these structural elements may occur in subsequent additions. An important feature is the nonplanarity of the hexagonal C6 rings resulting from some tetrahedrally coordinated carbon atoms, and the way this nonplanarity influences the conformations of surrounding rings. Further addition leads to the formation of chains of edge-shared hexagonal faces. Particularly stable structures are formed if these chains eliminate the chain ends to form cyclic structures. Examples include the skew pentagonal pyramids in C 60 X 6 , C 60 X 12 and C 60 X 18 , and the crowns in C 60 X 18 and C 60 X 36 . At higher levels of addition, in order to decrease X X repulsions, it becomes necessary to spread the X atoms as evenly as possible over the surface, and/or to place some X atoms in endo -positions, and/or to disrupt the C 60 cluster." @default.
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- W2738927784 date "1996-01-01" @default.
- W2738927784 modified "2023-09-28" @default.
- W2738927784 title "Stereochemical Patterns in C60Xn" @default.
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