X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 °C†
Abstract
The title compound, prepared from C60 and CF3I at 500 °C, exhibits an unusual fullerene(X)12 addition pattern that is 40 kJ mol−1 less stable than the previously reported C60(CF3)12 isomer.