Skeletal transformation of isolated pentagon rule (IPR) fullerene C82 into non-IPR C82Cl28 with notably low activation barriers.
A novel case of chlorination-promoted skeletal transformation in higher fullerenes is reported. Chlorination of C(82) [isolated pentagon rule (IPR) isomer no. 3] with SbCl(5) results in two consecutive Stone-Wales rearrangements into non-IPR C(82)Cl(28) with one pair of fused pentagons. An extensive theoretical study of the transformation pathways in C(82) revealed that the thermodynamically favorable rearrangement into non-IPR C(82)Cl(28) needs a comparatively low activation energy.
Chemistry Department, Moscow State University, Leninskie Gory, 119991 Moscow, Russia. ioffe@thermo.chem.msu.ru
Ilya N
IN
Ioffe
Olga N
ON
Mazaleva
Lev N
LN
Sidorov
Shangfeng
S
Yang
Tao
T
Wei
Erhard
E
Kemnitz
Sergey I
SI
Troyanov