X-ray structure and DFT study of C1-C60(CF3)12. A high-energy, kinetically-stable isomer prepared at 500 degrees 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.
Kareev
Ivan E
IE
Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka 142432, Russia.
Shustova
Natalia B
NB
Peryshkov
Dmitry V
DV
Lebedkin
Sergey F
SF
Miller
Susie M
SM
Anderson
Oren P
OP
Popov
Alexey A
AA
Boltalina
Olga V
OV
Strauss
Steven H
SH