Abstract
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.
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