Derivatives and dimers of C50-D5h and C50-D3: a comparison of two closely related but quite differently behaving fullerenes.

Abstract

A density functional theory study on the reactivity of the energetically most stable C(50) isomers, C(50)-D(5h) and C(50)-D(3), is presented. We explore the reactivity of both fullerenes towards the addition of hydrogen and halogen atoms and towards the formation of dimers. The addition patterns of the derivatives C(50)X(2n) (X = H, F, Cl) that are… (More)
DOI: 10.1063/1.3615502

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