Experimental and Theoretical Approach to Variable Chlorination-Promoted Skeletal Transformations in Fullerenes: The Case of C-102
Inorg. Chem. 57(8):4222-4225 Apr 2018
Mazaleva, Olga N.; Ioffe, Ilya N.; Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey, I
The first example of three alternative chlorination-promoted skeletal transformation pathways in the same fullerene cage is presented. Isolated-pentagon-rule (IPR) C102(19) undergoes both Stone–Wales rotations to give non-IPR #283794C102Cl20 and C2 losses to form nonclassical C98and non-IPR C96. X-ray structural characterization of the transformation products and a theoretical study of their formation pathways are reported.