title: C76 fullerene chlorides and cage transformations. Structural and theoretical study.
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.
authors.affiliation: Chemistry Department, Moscow State University, Leninskie Gory, 119991, Moscow, Russia.
authors.forename: Ilya N
authors.initials: IN
authors.lastname: Ioffe
authors.forename: Olga N
authors.initials: ON
authors.lastname: Mazaleva
authors.forename: Chuanbao
authors.initials: C
authors.lastname: Chen
authors.forename: Shangfeng
authors.initials: S
authors.lastname: Yang
authors.forename: Erhard
authors.initials: E
authors.lastname: Kemnitz
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov