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The First X‐ray Crystal Structures of Halogenated [70]Fullerene: C 70 Br 10 and C 70 Br 10 ⋅3 Br 2
Author(s) -
Troyanov Sergey I.,
Popov Alexey A.,
Denisenko Nadezhda I.,
Boltalina Olga V.,
Sidorov Lev N.,
Kemnitz Erhard
Publication year - 2003
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200351132
Subject(s) - bromine , fullerene , molecule , halogenation , crystallography , crystal structure , x ray , chemistry , x ray crystallography , materials science , physics , organic chemistry , diffraction , optics , quantum mechanics
C 70 Br 10 is the most stable and, apparently, the only product of the C 70 bromination in pure bromine and in solution in o ‐dichlorobenzene. In accordance with the quantum chemical calculations, the ten bromine atoms (orange) form a belt in the equatorial region of the C 70 molecule, with nine adjacent pairs of Br atoms located at the 1,4‐positions and one pair at the 1,2‐position.