C76 fullerene chlorides and cage transformations. Structural and theoretical study |
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| Authors: | Ioffe Ilya N Mazaleva Olga N Chen Chuanbao Yang Shangfeng Kemnitz Erhard Troyanov Sergey I |
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| Affiliation: | Chemistry Department, Moscow State University, Leninskie Gory, 119991, Moscow, Russia. |
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| Abstract: | Chlorination of the D(2)-C(76) fullerene under various conditions is studied in detail. It is found that, in addition to the previously known C(76)Cl(18) and C(76)Cl(34), a number of intermediate chlorides are formed, with all molecules falling into two structural types. The first type is observed in the C(76)Cl(18)-C(76)Cl(28) range, whereas further chlorination provides the C(76)Cl(30)-C(76)Cl(34) compounds of the second type exhibiting a major change in the addition motif. We also present a detailed theoretical rationalization of the previously observed skeletal rearrangement in the D(2)-C(76) that affords the non-IPR (18917)C(76)Cl(24) compound. |
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