X-ray structure and DFT study of C 1 -C 60 (CF 3 ) 12 . A high-energy, kinetically-stable isomer prepared at 500 °C

The title compound, prepared from C(60) and CF(3)I at 500 degrees C, exhibits an unusual fullerene(X)12 addition pattern that is 40 kJ mol(-1) less stable than the previously reported C(60)(CF(3))12 isomer.