Inorganic Chemistry, Vol.57, No.8, 4222-4225, 2018
Experimental and Theoretical Approach to Variable Chlorination-Promoted Skeletal Transformations in Fullerenes: The Case of C-102
The first example of three alternative chlorination-promoted skeletal transformation pathways in the same fullerene cage is presented. Isolated-pentagon-rule (IPR) C-102(19) undergoes both Stone-Wales rotations to give non-IPR (C102Cl20)-C-#283794 and C-2 losses to form nonclassical C-98 and non-IPR C-96. X-ray structural characterization of the transformation products and a theoretical study of their formation pathways are reported.